(1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol

C14H24O2 — CID 162949227

IUPAC(1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol
SMILESC=C(C)[C@H]1C[C@H]2[C@H](O)CCC[C@]2(C)C[C@H]1O
InChIInChI=1S/C14H24O2/c1-9(2)10-7-11-12(15)5-4-6-14(11,3)8-13(10)16/h10-13,15-16H,1,4-8H2,2-3H3/t10-,11+,12-,13-,14-/m1/s1
InChIKeyBDXMGDXQTJKGNW-XVIXHAIJSA-N
MW224.34 g/mol
LogP2.50
Rot. Bonds1

About (1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol

(1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol (PubChem CID 162949227) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol.

Molecular Properties

Compound Name(1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol
PubChem CID162949227
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol
SMILESC=C(C)[C@H]1C[C@H]2[C@H](O)CCC[C@]2(C)C[C@H]1O
InChIInChI=1S/C14H24O2/c1-9(2)10-7-11-12(15)5-4-6-14(11,3)8-13(10)16/h10-13,15-16H,1,4-8H2,2-3H3/t10-,11+,12-,13-,14-/m1/s1
InChIKeyBDXMGDXQTJKGNW-XVIXHAIJSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol?
The IUPAC name of (1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol (CID 162949227) is (1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol.
What is the SMILES notation for (1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol?
The canonical SMILES for (1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol is C=C(C)[C@H]1C[C@H]2[C@H](O)CCC[C@]2(C)C[C@H]1O.
What is the InChIKey of (1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol?
The InChIKey is BDXMGDXQTJKGNW-XVIXHAIJSA-N. The full InChI is InChI=1S/C14H24O2/c1-9(2)10-7-11-12(15)5-4-6-14(11,3)8-13(10)16/h10-13,15-16H,1,4-8H2,2-3H3/t10-,11+,12-,13-,14-/m1/s1.
What are the key properties of (1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol?
(1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol has a molecular weight of 224.34 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aR,6R,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol is sourced from PubChem (CID 162949227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).