(1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol

C15H24O2 — CID 155527301

IUPAC(1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol
SMILESC=C(CO)[C@H]1CC=C2CC[C@@H](O)[C@H](C)[C@@]2(C)C1
InChIInChI=1S/C15H24O2/c1-10(9-16)12-4-5-13-6-7-14(17)11(2)15(13,3)8-12/h5,11-12,14,16-17H,1,4,6-9H2,2-3H3/t11-,12-,14+,15+/m0/s1
InChIKeyVDLDBDDHAKELKL-DDHJSBNISA-N
MW236.35 g/mol
LogP2.67
Rot. Bonds2

About (1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol

(1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol (PubChem CID 155527301) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol
PubChem CID155527301
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol
SMILESC=C(CO)[C@H]1CC=C2CC[C@@H](O)[C@H](C)[C@@]2(C)C1
InChIInChI=1S/C15H24O2/c1-10(9-16)12-4-5-13-6-7-14(17)11(2)15(13,3)8-12/h5,11-12,14,16-17H,1,4,6-9H2,2-3H3/t11-,12-,14+,15+/m0/s1
InChIKeyVDLDBDDHAKELKL-DDHJSBNISA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of (1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol (CID 155527301) is (1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for (1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for (1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol is C=C(CO)[C@H]1CC=C2CC[C@@H](O)[C@H](C)[C@@]2(C)C1.
What is the InChIKey of (1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol?
The InChIKey is VDLDBDDHAKELKL-DDHJSBNISA-N. The full InChI is InChI=1S/C15H24O2/c1-10(9-16)12-4-5-13-6-7-14(17)11(2)15(13,3)8-12/h5,11-12,14,16-17H,1,4,6-9H2,2-3H3/t11-,12-,14+,15+/m0/s1.
What are the key properties of (1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol?
(1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol has a molecular weight of 236.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 155527301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).