(4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one

C15H24O2 — CID 163190198

IUPAC(4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one
SMILESC=C1CCC(=O)[C@]2(C)CC[C@@H](C(C)C)C[C@@]12O
InChIInChI=1S/C15H24O2/c1-10(2)12-7-8-14(4)13(16)6-5-11(3)15(14,17)9-12/h10,12,17H,3,5-9H2,1-2,4H3/t12-,14+,15-/m1/s1
InChIKeyFBFPIPZUUNYSEA-VHDGCEQUSA-N
MW236.35 g/mol
LogP3.10
Rot. Bonds1

About (4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one

(4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one (PubChem CID 163190198) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one.

Molecular Properties

Compound Name(4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one
PubChem CID163190198
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one
SMILESC=C1CCC(=O)[C@]2(C)CC[C@@H](C(C)C)C[C@@]12O
InChIInChI=1S/C15H24O2/c1-10(2)12-7-8-14(4)13(16)6-5-11(3)15(14,17)9-12/h10,12,17H,3,5-9H2,1-2,4H3/t12-,14+,15-/m1/s1
InChIKeyFBFPIPZUUNYSEA-VHDGCEQUSA-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 (4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one with MolForge

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Related Compounds

2-((2S,4aR,8aS)-2-hydroxy-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl)prop-2-enoic acid
CID 23757244
2-(8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid
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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
N-N-BIS(beta-CHLOROETHYL)-p-TOLUENESULFONAMIDE
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CID 25147593
Ent-4(15)-Eudesmen-11-Ol-1-One
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CID 11572218

Frequently Asked Questions

What is the IUPAC name of (4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one?
The IUPAC name of (4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one (CID 163190198) is (4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one.
What is the SMILES notation for (4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one?
The canonical SMILES for (4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one is C=C1CCC(=O)[C@]2(C)CC[C@@H](C(C)C)C[C@@]12O.
What is the InChIKey of (4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one?
The InChIKey is FBFPIPZUUNYSEA-VHDGCEQUSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)12-7-8-14(4)13(16)6-5-11(3)15(14,17)9-12/h10,12,17H,3,5-9H2,1-2,4H3/t12-,14+,15-/m1/s1.
What are the key properties of (4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one?
(4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-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 (4aR,6R,8aR)-4a-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalen-1-one is sourced from PubChem (CID 163190198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).