6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol

C17H32O — CID 57146235

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

About 6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol

6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol (PubChem CID 57146235) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
PubChem CID57146235
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
SMILESCC(C)(C)C1CCC2C(C)(CCC(O)C2(C)C)C1
InChIInChI=1S/C17H32O/c1-15(2,3)12-7-8-13-16(4,5)14(18)9-10-17(13,6)11-12/h12-14,18H,7-11H2,1-6H3
InChIKeyKXRSZOJOYQQFHE-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol with MolForge

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Related Compounds

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2-tert-butylspiro[3.5]nonan-7-ol
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6-tert-butylspiro[2.4]heptane
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3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol
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(3R,3aS,5aR,5bR,7aS,9R,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol
CID 163049113
(3S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol
CID 101277263
(2S,4aR,9aR)-1,1,4a,7-tetramethyl-6-phenyl-3,4,5,8,9,9a-hexahydro-2H-benzo[7]annulen-2-ol
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ethane;ethyl 6-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate
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(1R,3S,6S,8S,11R,12S,15S,16S,19R,21R,23R)-3,7,7,11,16,20,20-heptamethyl-24-oxahexacyclo[13.9.0.01,23.03,12.06,11.016,21]tetracosane-8,19-diol
CID 162937339

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
The IUPAC name of 6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol (CID 57146235) is 6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol.
What is the SMILES notation for 6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
The canonical SMILES for 6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol is CC(C)(C)C1CCC2C(C)(CCC(O)C2(C)C)C1.
What is the InChIKey of 6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
The InChIKey is KXRSZOJOYQQFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-15(2,3)12-7-8-13-16(4,5)14(18)9-10-17(13,6)11-12/h12-14,18H,7-11H2,1-6H3.
What are the key properties of 6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
6-tert-butyl-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, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol is sourced from PubChem (CID 57146235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).