(4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one

C15H24O2 — CID 24786780

IUPAC(4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESC=C(C)[C@H]1CC[C@]2(C)C(=O)CC[C@](C)(O)[C@H]2C1
InChIInChI=1S/C15H24O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h11-12,17H,1,5-9H2,2-4H3/t11-,12-,14-,15-/m0/s1
InChIKeyAPRONAGXQZHIMW-JURCDPSOSA-N
MW236.35 g/mol
LogP3.10
Rot. Bonds1

About (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one

(4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one (PubChem CID 24786780) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one
PubChem CID24786780
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESC=C(C)[C@H]1CC[C@]2(C)C(=O)CC[C@](C)(O)[C@H]2C1
InChIInChI=1S/C15H24O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h11-12,17H,1,5-9H2,2-4H3/t11-,12-,14-,15-/m0/s1
InChIKeyAPRONAGXQZHIMW-JURCDPSOSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one with MolForge

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Related Compounds

2-(8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid
CID 496073
Ilicic Acid
CID 11876195
Corymbolone
CID 178931
7-Hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 73828339
alpha-Rotunol
CID 12315078
2-[(2R,4aR,8S,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
CID 6452036
4a-Hydroxy-6-isopropenyl-4,8a-dimethyloctahydro-1(2H)-naphthalenone
CID 535226
Ilicic Aldehyde
CID 46227015
(4aR,6S,8aS)-6-acetyl-4a-hydroxy-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 71681103
Chlorantene G
CID 25147593
Ent-4(15)-Eudesmen-11-Ol-1-One
CID 44479733
Trogopteroid B
CID 46833404

Frequently Asked Questions

What is the IUPAC name of (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The IUPAC name of (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one (CID 24786780) is (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one.
What is the SMILES notation for (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The canonical SMILES for (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one is C=C(C)[C@H]1CC[C@]2(C)C(=O)CC[C@](C)(O)[C@H]2C1.
What is the InChIKey of (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The InChIKey is APRONAGXQZHIMW-JURCDPSOSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h11-12,17H,1,5-9H2,2-4H3/t11-,12-,14-,15-/m0/s1.
What are the key properties of (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one?
(4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-naphthalen-1-one is sourced from PubChem (CID 24786780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).