9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one

C15H24O2 — CID 85167508

IUPAC9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one
SMILESCC1=CC2C(C)(C)CCCC2(C)C(O)CC1=O
InChIInChI=1S/C15H24O2/c1-10-8-12-14(2,3)6-5-7-15(12,4)13(17)9-11(10)16/h8,12-13,17H,5-7,9H2,1-4H3
InChIKeyURGWVRXTUFMUJH-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.10
Rot. Bonds

About 9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one

9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one (PubChem CID 85167508) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one.

Molecular Properties

Compound Name9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one
PubChem CID85167508
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one
SMILESCC1=CC2C(C)(C)CCCC2(C)C(O)CC1=O
InChIInChI=1S/C15H24O2/c1-10-8-12-14(2,3)6-5-7-15(12,4)13(17)9-11(10)16/h8,12-13,17H,5-7,9H2,1-4H3
InChIKeyURGWVRXTUFMUJH-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

Analyze 9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one with MolForge

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Related Compounds

(1R,3R,8R,10Z,12R,13S,18S,19R)-19-hydroxy-1,5,13,17,17-pentamethyl-9-methylidene-2-oxatetracyclo[10.8.0.03,8.013,18]icosa-4,10-dien-6-one
CID 118737362
(3R,3aS,7aS)-3,3a,7,7-tetramethyl-2,3,4,5,6,7a-hexahydro-1H-inden-1-ol
CID 90388891
[(4R,4aS,4bR,8aS,9S,10aR)-4-hydroxy-4b,8,8,10a-tetramethyl-2-[(1R)-4-methyl-5-oxocyclohex-3-en-1-yl]-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-9-yl] acetate
CID 163114105
(3aR,4S,5aS,9aS,9bS)-4-hydroxy-6,6,9a-trimethyl-3a,4,5,5a,7,8,9,9b-octahydro-3H-benzo[g][2]benzofuran-1-one
CID 163067020
8-hydroxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
CID 73190634
[(2R,4aS,4bR,8aS,9R,10aS)-2-[(1S,2S)-2-acetyloxy-4-methyl-5-oxocyclohex-3-en-1-yl]-2-hydroxy-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-9-yl] acetate
CID 162870215
(4S,5S)-4,5-dihydroxy-2,5-dimethylcyclohex-2-en-1-one
CID 139586018
4,5-dihydroxy-2,5-dimethylcyclohex-2-en-1-one
CID 162851576
(7R)-2,2,6-trimethylbicyclo[4.2.0]octan-7-ol
CID 89331828
(5aS,5bR,7aS,11aS,11bR,13R,13aS)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,2,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[2,1-e]isoindol-3-one
CID 163114264
(1R,2R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-one
CID 177389635
5-hydroxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydrobenzo[e][2]benzofuran-1,3-dione
CID 85369861

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one?
The IUPAC name of 9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one (CID 85167508) is 9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one.
What is the SMILES notation for 9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one?
The canonical SMILES for 9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one is CC1=CC2C(C)(C)CCCC2(C)C(O)CC1=O.
What is the InChIKey of 9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one?
The InChIKey is URGWVRXTUFMUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-8-12-14(2,3)6-5-7-15(12,4)13(17)9-11(10)16/h8,12-13,17H,5-7,9H2,1-4H3.
What are the key properties of 9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one?
9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one has a molecular weight of 236.35 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,8,9-hexahydrobenzo[7]annulen-7-one is sourced from PubChem (CID 85167508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).