(1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol

C12H24O — CID 10631367

IUPAC(1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol
SMILESCCC[C@@]1(C)C[C@H](C)C[C@@](C)(O)C1
InChIInChI=1S/C12H24O/c1-5-6-11(3)7-10(2)8-12(4,13)9-11/h10,13H,5-9H2,1-4H3/t10-,11-,12+/m0/s1
InChIKeyLBDZUQRVSIECBC-SDDRHHMPSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds2

About (1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol

(1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol (PubChem CID 10631367) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol
PubChem CID10631367
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol
SMILESCCC[C@@]1(C)C[C@H](C)C[C@@](C)(O)C1
InChIInChI=1S/C12H24O/c1-5-6-11(3)7-10(2)8-12(4,13)9-11/h10,13H,5-9H2,1-4H3/t10-,11-,12+/m0/s1
InChIKeyLBDZUQRVSIECBC-SDDRHHMPSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
3-methyl-3-propylcyclobutan-1-ol
CID 176695385
1,3-dimethyl-1-pentylcyclobutane;ethane
CID 171802014
1,3,7-trimethyl-1-propylcyclononane
CID 123829205
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane
CID 57221812
(2S)-2,4-dimethyl-4-propyloxolane
CID 135257246
(1R)-1-ethyl-3,3,5-trimethylcyclohexan-1-ol
CID 134996054
1-(chloromethyl)-1,3-dimethylcyclobutane
CID 164652418
7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol
CID 163653296
1-butyl-1,3-dimethylcyclopentane
CID 123273889

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol?
The IUPAC name of (1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol (CID 10631367) is (1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol.
What is the SMILES notation for (1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol?
The canonical SMILES for (1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol is CCC[C@@]1(C)C[C@H](C)C[C@@](C)(O)C1.
What is the InChIKey of (1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol?
The InChIKey is LBDZUQRVSIECBC-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H24O/c1-5-6-11(3)7-10(2)8-12(4,13)9-11/h10,13H,5-9H2,1-4H3/t10-,11-,12+/m0/s1.
What are the key properties of (1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol?
(1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol is sourced from PubChem (CID 10631367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).