(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]

C17H26O2 — CID 143311552

IUPAC(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]
SMILESC=C(C)[C@@H]1CC=C2CC3(C[C@@H](C)[C@]2(C)C1)OCCO3
InChIInChI=1S/C17H26O2/c1-12(2)14-5-6-15-11-17(18-7-8-19-17)9-13(3)16(15,4)10-14/h6,13-14H,1,5,7-11H2,2-4H3/t13-,14-,16+/m1/s1
InChIKeyZDVUFPBLAQLDJS-FMKPAKJESA-N
MW262.39 g/mol
LogP4.08
Rot. Bonds1

About (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]

(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane] (PubChem CID 143311552) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane].

Molecular Properties

Compound Name(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]
PubChem CID143311552
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]
SMILESC=C(C)[C@@H]1CC=C2CC3(C[C@@H](C)[C@]2(C)C1)OCCO3
InChIInChI=1S/C17H26O2/c1-12(2)14-5-6-15-11-17(18-7-8-19-17)9-13(3)16(15,4)10-14/h6,13-14H,1,5,7-11H2,2-4H3/t13-,14-,16+/m1/s1
InChIKeyZDVUFPBLAQLDJS-FMKPAKJESA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane] with MolForge

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Related Compounds

(2R,4aS,4bR,7S,10aS)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-ol
CID 44626665
1,10-Dihydronootkatone ketal
CID 76312505
1,3-Dioxolane, 2,4-dimethyl-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-
CID 109421
(4R)-4-[(2S,4aS,4bS,8aS)-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 163007424
4a'-Methyl-3',4',4a',5',6',7'-hexahydro-1'h-spiro[1,3-dioxolane-2,2'-naphthalene]
CID 270622
(2'R,4'aR,8'aS)-2',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 76764548
(4bS,8aR,10aR)-10a-ethyl-4b,8,8-trimethylspiro[1,2,3,5,6,8a,9,10-octahydrophenanthrene-7,2'-1,3-dioxolane]
CID 58100916
1,4-Dioxa-dispiro[4.1.5.3]pentadec-8-ene
CID 66936799
Spiro[bicyclo[3.2.1]oct-6-ene-2,2'-[1,3]dioxolane], 1,8,8-trimethyl-
CID 376764
1,3-Dioxolane, 2-methyl-2-(3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)-
CID 111400
(1'S,2'R,10'aR,12'aS)-1'-fluoro-2',10'a,12'a-trimethylspiro[1,3-dioxolane-2,8'-2,3,4,4a,4b,5,7,9,10,10b,11,12-dodecahydro-1H-chrysene]
CID 54596714
(4bS,8aR,10aS)-10a-(fluoromethyl)-4b,8,8-trimethylspiro[1,2,3,5,6,8a,9,10-octahydrophenanthrene-7,2'-1,3-dioxolane]
CID 58802191

Frequently Asked Questions

What is the IUPAC name of (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]?
The IUPAC name of (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane] (CID 143311552) is (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane].
What is the SMILES notation for (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]?
The canonical SMILES for (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane] is C=C(C)[C@@H]1CC=C2CC3(C[C@@H](C)[C@]2(C)C1)OCCO3.
What is the InChIKey of (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]?
The InChIKey is ZDVUFPBLAQLDJS-FMKPAKJESA-N. The full InChI is InChI=1S/C17H26O2/c1-12(2)14-5-6-15-11-17(18-7-8-19-17)9-13(3)16(15,4)10-14/h6,13-14H,1,5,7-11H2,2-4H3/t13-,14-,16+/m1/s1.
What are the key properties of (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]?
(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane] has a molecular weight of 262.39 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane] is sourced from PubChem (CID 143311552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).