3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol

C14H28O — CID 68543310

IUPAC3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol
SMILESCCC(O)(CC)[C@]1(C)CCC(C(C)C)C1
InChIInChI=1S/C14H28O/c1-6-14(15,7-2)13(5)9-8-12(10-13)11(3)4/h11-12,15H,6-10H2,1-5H3/t12?,13-/m1/s1
InChIKeyHBYTZGCFDAIYEQ-ZGTCLIOFSA-N
MW212.38 g/mol
LogP4.00
Rot. Bonds4

About 3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol

3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol (PubChem CID 68543310) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol
PubChem CID68543310
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol
SMILESCCC(O)(CC)[C@]1(C)CCC(C(C)C)C1
InChIInChI=1S/C14H28O/c1-6-14(15,7-2)13(5)9-8-12(10-13)11(3)4/h11-12,15H,6-10H2,1-5H3/t12?,13-/m1/s1
InChIKeyHBYTZGCFDAIYEQ-ZGTCLIOFSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-2,3-dihydroxy-2,3-bis(1-methyl-4-propan-2-ylcyclohexyl)butanedioic acid
CID 150013736
1-[(1R,3S)-1-methyl-3-propan-2-ylcyclopentyl]butan-1-ol
CID 68539484
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
2-ethyl-6-propan-2-ylspiro[2.4]heptane
CID 123260811
1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
CID 141214985
1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
CID 79444321
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
1-(4-hydroxy-2,6-dimethylheptan-4-yl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 114867143
1-bromo-1-methyl-4-propan-2-ylcyclohexane
CID 90475813
1-(3,4-dimethoxy-3,4-dimethylcyclohexyl)ethyl 2,2-dimethylbutanoate
CID 164729473
2-methoxy-3-(1-methyl-4-propan-2-ylcyclohexyl)oxypropane-1,2-diol
CID 150910528

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol?
The IUPAC name of 3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol (CID 68543310) is 3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol.
What is the SMILES notation for 3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol?
The canonical SMILES for 3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol is CCC(O)(CC)[C@]1(C)CCC(C(C)C)C1.
What is the InChIKey of 3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol?
The InChIKey is HBYTZGCFDAIYEQ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H28O/c1-6-14(15,7-2)13(5)9-8-12(10-13)11(3)4/h11-12,15H,6-10H2,1-5H3/t12?,13-/m1/s1.
What are the key properties of 3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol?
3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol has a molecular weight of 212.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-methyl-3-propan-2-ylcyclopentyl]pentan-3-ol is sourced from PubChem (CID 68543310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).