(4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione

C68H102O11 — CID 165060025

About (4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione

(4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione (PubChem CID 165060025) has the molecular formula C68H102O11 and a molecular weight of 1095.55 g/mol. Its IUPAC name is (4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione.

Molecular Properties

• Compound Name: (4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
• PubChem CID: 165060025
• Molecular Formula: C68H102O11
• Molecular Weight: 1095.55 g/mol
• Exact Mass: 1094.74
• IUPAC Name: (4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
• SMILES: C=CC[C@@H]1[C@H]2CCCC(=O)[C@]2(C)CC[C@@H]1O.C=CC[C@H]1CCC[C@]2(C)[C@@H]1CCCC21OCCO1.C=CC[C@H]1[C@H](O)CC[C@@]2(C)C(=O)CCC[C@H]12.C[C@@]12CCC(=O)C=C1CCCC21OCCO1.C[C@@]12CCC(=O)C=C1CCCC2=O
• InChI: InChI=1S/C16H26O2.2C14H22O2.C13H18O3.C11H14O2/c1-3-6-13-7-4-9-15(2)14(13)8-5-10-16(15)17-11-12-18-16;2*1-3-5-10-11-6-4-7-13(16)14(11,2)9-8-12(10)15;1-12-6-4-11(14)9-10(12)3-2-5-13(12)15-7-8-16-13;1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h3,13-14H,1,4-12H2,2H3;2*3,10-12,15H,1,4-9H2,2H3;9H,2-8H2,1H3;7H,2-6H2,1H3/t13-,14+,15+;10-,11-,12+,14-;10-,11-,12-,14-;12-;11-/m01111/s1
• InChIKey: RAVXKHXNWZATIA-DBGCVLFFSA-N
• XLogP: 13.57
• TPSA: 162.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1095.55
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione?

The IUPAC name of (4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione (CID 165060025) is (4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione.

What is the SMILES notation for (4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione?

The canonical SMILES for (4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione is C=CC[C@@H]1[C@H]2CCCC(=O)[C@]2(C)CC[C@@H]1O.C=CC[C@H]1CCC[C@]2(C)[C@@H]1CCCC21OCCO1.C=CC[C@H]1[C@H](O)CC[C@@]2(C)C(=O)CCC[C@H]12.C[C@@]12CCC(=O)C=C1CCCC21OCCO1.C[C@@]12CCC(=O)C=C1CCCC2=O.

What is the InChIKey of (4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione?

The InChIKey is RAVXKHXNWZATIA-DBGCVLFFSA-N. The full InChI is InChI=1S/C16H26O2.2C14H22O2.C13H18O3.C11H14O2/c1-3-6-13-7-4-9-15(2)14(13)8-5-10-16(15)17-11-12-18-16;2*1-3-5-10-11-6-4-7-13(16)14(11,2)9-8-12(10)15;1-12-6-4-11(14)9-10(12)3-2-5-13(12)15-7-8-16-13;1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h3,13-14H,1,4-12H2,2H3;2*3,10-12,15H,1,4-9H2,2H3;9H,2-8H2,1H3;7H,2-6H2,1H3/t13-,14+,15+;10-,11-,12+,14-;10-,11-,12-,14-;12-;11-/m01111/s1.

What are the key properties of (4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione?

(4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione has a molecular weight of 1095.55 g/mol, XLogP of 13.57, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,4aR,8aR)-8a-methyl-4-prop-2-enylspiro[1,2,3,4,4a,5,6,7-octahydronaphthalene-8,2'-1,3-dioxolane];(4aR,5R,6R,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4aR,5R,6S,8aR)-6-hydroxy-8a-methyl-5-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one;(4'aR)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one;(8aR)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione is sourced from PubChem (CID 165060025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).