4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one

C14H24O3 — CID 72974282

IUPAC4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
SMILESCC(C)C1CCC2(C)C(O)CCC(=O)C2C1O
InChIInChI=1S/C14H24O3/c1-8(2)9-6-7-14(3)11(16)5-4-10(15)12(14)13(9)17/h8-9,11-13,16-17H,4-7H2,1-3H3
InChIKeyOCVNGAWWQYKMBF-UHFFFAOYSA-N
MW240.34 g/mol
LogP1.76
Rot. Bonds1

About 4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one

4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one (PubChem CID 72974282) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one.

Molecular Properties

Compound Name4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
PubChem CID72974282
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
SMILESCC(C)C1CCC2(C)C(O)CCC(=O)C2C1O
InChIInChI=1S/C14H24O3/c1-8(2)9-6-7-14(3)11(16)5-4-10(15)12(14)13(9)17/h8-9,11-13,16-17H,4-7H2,1-3H3
InChIKeyOCVNGAWWQYKMBF-UHFFFAOYSA-N
XLogP1.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one with MolForge

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Related Compounds

(1R,2R,4aR,5R,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 10466747
(1S,2R,4aS,5S,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 162905517
(1R,2R,4aS,5S,6S,8aS)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,2,5-triol
CID 11994819
8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4,8-diol
CID 75221124
(2R,4aS,8aR)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 163193268
(1R,2R,4aS,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 163013781
(1S,2R,4aR,8aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-ol
CID 101006297
(3R,3aR,6R,6aS)-6-hydroxy-3a-methyl-3-propan-2-yl-2,3,4,5,6,6a-hexahydropentalen-1-one
CID 102312002
(1S,4R,5R)-1-methyl-4-propan-2-ylbicyclo[3.2.1]octane-6,8-dione
CID 53360068
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042
(4E,8S,9S,11R,14S)-8-hydroxy-4,8,14-trimethyl-11-propan-2-yltricyclo[7.5.0.010,14]tetradec-4-en-2-one
CID 10267055
(1S,4aR,5R,8aS)-5-[(1S)-1-hydroxy-2-methylpropyl]-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol
CID 162994014

Frequently Asked Questions

What is the IUPAC name of 4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one?
The IUPAC name of 4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one (CID 72974282) is 4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one.
What is the SMILES notation for 4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one?
The canonical SMILES for 4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one is CC(C)C1CCC2(C)C(O)CCC(=O)C2C1O.
What is the InChIKey of 4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one?
The InChIKey is OCVNGAWWQYKMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-8(2)9-6-7-14(3)11(16)5-4-10(15)12(14)13(9)17/h8-9,11-13,16-17H,4-7H2,1-3H3.
What are the key properties of 4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one?
4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one has a molecular weight of 240.34 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one is sourced from PubChem (CID 72974282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).