1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol

C17H32O — CID 57067852

IUPAC1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1CCCC2C(C)(C)CCCC12C
InChIInChI=1S/C17H32O/c1-15(2)10-7-11-17(5)13(12-16(3,4)18)8-6-9-14(15)17/h13-14,18H,6-12H2,1-5H3
InChIKeyIVXAHGJNUCLCPB-UHFFFAOYSA-N
MW252.44 g/mol
LogP4.78
Rot. Bonds2

About 1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol

1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol (PubChem CID 57067852) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol
PubChem CID57067852
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1CCCC2C(C)(C)CCCC12C
InChIInChI=1S/C17H32O/c1-15(2)10-7-11-17(5)13(12-16(3,4)18)8-6-9-14(15)17/h13-14,18H,6-12H2,1-5H3
InChIKeyIVXAHGJNUCLCPB-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 134427704
5,5,8a-trimethyl-1-[(2E)-penta-2,4-dienyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 144982614
(1S,2S,4aS,8aS)-1-[(2S)-2-hydroxy-2-methylbut-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 40557053
(1S,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol
CID 10955280
(1S,2R,4aS,8aR)-1-(hydroxymethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol
CID 101048550
dimethyl 2-[2-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)ethylidene]butanedioate
CID 123534338
2-(2-hydroxy-2-methylpropyl)-1-methylcyclopropan-1-ol
CID 15327064
(1R,2R,4aS,8aS)-1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 11107904
2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane
CID 19857490
(1S,3aS,7aR)-1-methoxy-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-indene
CID 90388768
6,6,9a-trimethyl-2,3,3a,4,5,5a,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalene
CID 140589212
(3S)-5-[(1R,2S,4aR,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
CID 91753171

Frequently Asked Questions

What is the IUPAC name of 1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol (CID 57067852) is 1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol is CC(C)(O)CC1CCCC2C(C)(C)CCCC12C.
What is the InChIKey of 1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol?
The InChIKey is IVXAHGJNUCLCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-15(2)10-7-11-17(5)13(12-16(3,4)18)8-6-9-14(15)17/h13-14,18H,6-12H2,1-5H3.
What are the key properties of 1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol?
1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol has a molecular weight of 252.44 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 57067852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).