(2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol

C13H26O — CID 143524779

IUPAC(2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol
SMILESCC(C)[C@@H](C)C(O)C1CCCC1(C)C
InChIInChI=1S/C13H26O/c1-9(2)10(3)12(14)11-7-6-8-13(11,4)5/h9-12,14H,6-8H2,1-5H3/t10-,11?,12?/m1/s1
InChIKeyKMTSRHJAJNEWSI-VOMCLLRMSA-N
MW198.35 g/mol
LogP3.47
Rot. Bonds3

About (2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol

(2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol (PubChem CID 143524779) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol
PubChem CID143524779
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol
SMILESCC(C)[C@@H](C)C(O)C1CCCC1(C)C
InChIInChI=1S/C13H26O/c1-9(2)10(3)12(14)11-7-6-8-13(11,4)5/h9-12,14H,6-8H2,1-5H3/t10-,11?,12?/m1/s1
InChIKeyKMTSRHJAJNEWSI-VOMCLLRMSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylcyclopentyl)ethanol
CID 79863633
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
cyclobutyl-(2,2-dimethylcyclopentyl)methanol
CID 107192993
1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 79862783
(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192212
(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192398
2-cyclohexyl-1-(2,2-dimethylcyclopentyl)ethanol
CID 107192138
1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol
CID 107192586
2-(2,2-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 79852423
cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanol
CID 107181706
cis-(1R,2R)-1-methyl-2-propan-2-ylcyclopentan-1-ol
CID 158874958
cyclopropyl-(2,2-dimethylcyclopentyl)methanamine
CID 107189375

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol?
The IUPAC name of (2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol (CID 143524779) is (2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol.
What is the SMILES notation for (2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol?
The canonical SMILES for (2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol is CC(C)[C@@H](C)C(O)C1CCCC1(C)C.
What is the InChIKey of (2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol?
The InChIKey is KMTSRHJAJNEWSI-VOMCLLRMSA-N. The full InChI is InChI=1S/C13H26O/c1-9(2)10(3)12(14)11-7-6-8-13(11,4)5/h9-12,14H,6-8H2,1-5H3/t10-,11?,12?/m1/s1.
What are the key properties of (2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol?
(2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 143524779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).