(3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol

C15H24O — CID 163013816

IUPAC(3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
SMILESC=C(C)[C@H]1CC[C@@]2(C)CCCC(=C)[C@@]2(O)C1
InChIInChI=1S/C15H24O/c1-11(2)13-7-9-14(4)8-5-6-12(3)15(14,16)10-13/h13,16H,1,3,5-10H2,2,4H3/t13-,14+,15-/m0/s1
InChIKeyOEFZSVXJENLPRM-ZNMIVQPWSA-N
MW220.36 g/mol
LogP3.84
Rot. Bonds1

About (3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol

(3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol (PubChem CID 163013816) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol.

Molecular Properties

Compound Name(3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
PubChem CID163013816
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
SMILESC=C(C)[C@H]1CC[C@@]2(C)CCCC(=C)[C@@]2(O)C1
InChIInChI=1S/C15H24O/c1-11(2)13-7-9-14(4)8-5-6-12(3)15(14,16)10-13/h13,16H,1,3,5-10H2,2,4H3/t13-,14+,15-/m0/s1
InChIKeyOEFZSVXJENLPRM-ZNMIVQPWSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol?
The IUPAC name of (3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol (CID 163013816) is (3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol.
What is the SMILES notation for (3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol?
The canonical SMILES for (3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol is C=C(C)[C@H]1CC[C@@]2(C)CCCC(=C)[C@@]2(O)C1.
What is the InChIKey of (3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol?
The InChIKey is OEFZSVXJENLPRM-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)13-7-9-14(4)8-5-6-12(3)15(14,16)10-13/h13,16H,1,3,5-10H2,2,4H3/t13-,14+,15-/m0/s1.
What are the key properties of (3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol?
(3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol has a molecular weight of 220.36 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol is sourced from PubChem (CID 163013816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).