cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol

C14H28O2 — CID 100946051

IUPACcis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol
SMILESCC(C)CC(O)[C@@]1(CC(C)C)CCC[C@H]1O
InChIInChI=1S/C14H28O2/c1-10(2)8-13(16)14(9-11(3)4)7-5-6-12(14)15/h10-13,15-16H,5-9H2,1-4H3/t12-,13?,14-/m1/s1
InChIKeyGDISVQMSVUJNQZ-WYAMFQBQSA-N
MW228.38 g/mol
LogP2.97
Rot. Bonds5

About cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol

cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol (PubChem CID 100946051) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol
PubChem CID100946051
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Namecis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol
SMILESCC(C)CC(O)[C@@]1(CC(C)C)CCC[C@H]1O
InChIInChI=1S/C14H28O2/c1-10(2)8-13(16)14(9-11(3)4)7-5-6-12(14)15/h10-13,15-16H,5-9H2,1-4H3/t12-,13?,14-/m1/s1
InChIKeyGDISVQMSVUJNQZ-WYAMFQBQSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(hydroxymethyl)cyclobutyl]-3-methylbutan-1-ol
CID 102551279
(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
CID 158186042
1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol
CID 102551269
trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol
CID 130874578
1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol
CID 114215688
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
2-(aminomethyl)-1-(3,3-difluorocyclohexyl)-4-methylpentan-1-ol
CID 114226754
(3R)-3-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 121406243
1-[1-(aminomethyl)-3-methylcyclobutyl]-3-methylbutan-1-ol
CID 102547576
cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane
CID 121406278
(4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide
CID 147297565

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol (CID 100946051) is cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol is CC(C)CC(O)[C@@]1(CC(C)C)CCC[C@H]1O.
What is the InChIKey of cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol?
The InChIKey is GDISVQMSVUJNQZ-WYAMFQBQSA-N. The full InChI is InChI=1S/C14H28O2/c1-10(2)8-13(16)14(9-11(3)4)7-5-6-12(14)15/h10-13,15-16H,5-9H2,1-4H3/t12-,13?,14-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol?
cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(1-hydroxy-3-methylbutyl)-2-(2-methylpropyl)cyclopentan-1-ol is sourced from PubChem (CID 100946051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).