6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol

C17H32O — CID 57047859

IUPAC6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
SMILESCCC(C)C1CCC2C(C)(CCC(O)C2(C)C)C1
InChIInChI=1S/C17H32O/c1-6-12(2)13-7-8-14-16(3,4)15(18)9-10-17(14,5)11-13/h12-15,18H,6-11H2,1-5H3
InChIKeyIAQITJGLGUBUJI-UHFFFAOYSA-N
MW252.44 g/mol
LogP4.64
Rot. Bonds2

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

6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol (PubChem CID 57047859) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
PubChem CID57047859
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
SMILESCCC(C)C1CCC2C(C)(CCC(O)C2(C)C)C1
InChIInChI=1S/C17H32O/c1-6-12(2)13-7-8-14-16(3,4)15(18)9-10-17(14,5)11-13/h12-15,18H,6-11H2,1-5H3
InChIKeyIAQITJGLGUBUJI-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Launch Full Analysis

Related Compounds

6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
CID 57146235
7-butan-2-yl-4-oxaspiro[2.5]octane
CID 170965398
1-butan-2-yl-4-methylcyclohexane
CID 20676481
(14R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 59917557
7,7,12,16-tetramethyl-14-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
CID 162885255
1-amino-N-(4-butan-2-ylcyclohexyl)cyclopropane-1-carboxamide
CID 71236000
butan-2-ylcyclohexadecane
CID 123713671
butan-2-ylcyclopentane;ethane
CID 143236269
1-(1-hydroxypropan-2-yl)-3a,5b,8,8,11a-pentamethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol
CID 145495387
ethane;ethyl 6-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate
CID 145428993
butan-2-ylcyclohexane;ethane
CID 143005290
(3R)-3-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]butanoic acid
CID 70959581

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
The IUPAC name of 6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol (CID 57047859) is 6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol.
What is the SMILES notation for 6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
The canonical SMILES for 6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol is CCC(C)C1CCC2C(C)(CCC(O)C2(C)C)C1.
What is the InChIKey of 6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
The InChIKey is IAQITJGLGUBUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-6-12(2)13-7-8-14-16(3,4)15(18)9-10-17(14,5)11-13/h12-15,18H,6-11H2,1-5H3.
What are the key properties of 6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol has a molecular weight of 252.44 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol is sourced from PubChem (CID 57047859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).