cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol

C11H22O2 — CID 162463333

IUPACcis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
SMILESCC(C)C1CC(C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22O2/c1-6(2)8-5-9(7(3)4)11(13)10(8)12/h6-13H,5H2,1-4H3/t8?,9?,10-,11+
InChIKeyVLWBZBQCKWKTIZ-HWACXVBKSA-N
MW186.29 g/mol
LogP1.66
Rot. Bonds2

About cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol

cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol (PubChem CID 162463333) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
PubChem CID162463333
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Namecis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
SMILESCC(C)C1CC(C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22O2/c1-6(2)8-5-9(7(3)4)11(13)10(8)12/h6-13H,5H2,1-4H3/t8?,9?,10-,11+
InChIKeyVLWBZBQCKWKTIZ-HWACXVBKSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-4-propylcyclopentane-1,2-diol
CID 52916274
cis-(1R,2S)-4-hexylcyclopentane-1,2-diol
CID 52916276
Cyclonerodiol B
CID 139591330
Cycloneran-3,7,10,11-tetraol
CID 146682954
(1s,2r,4s)-4-(2-Methoxyethyl)-1,3,3-trimethyl-1,2-cyclopentandiol
CID 21580137
cis-1-Isopropylcyclopentan-1,2-diol
CID 91999624
(1S,2R,3S,5S)-3-(difluoromethyl)-5-propan-2-ylcyclopentane-1,2-diol
CID 58519635
(1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol
CID 90365848
(1S,2R,3S,5S)-3-(1,1-difluoroethyl)-5-propan-2-ylcyclopentane-1,2-diol
CID 90365851
(1S,2R,3S,5R)-3-(2-fluoropropan-2-yl)-5-methylcyclopentane-1,2-diol
CID 90369024
4,4-Difluoro-3-methyl-5-propan-2-ylcyclopentane-1,2-diol
CID 118544192
3-(1,1-Difluoroethyl)-5-ethylcyclopentane-1,2-diol
CID 123656436

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
The IUPAC name of cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol (CID 162463333) is cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol.
What is the SMILES notation for cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
The canonical SMILES for cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol is CC(C)C1CC(C(C)C)[C@H](O)[C@@H]1O.
What is the InChIKey of cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
The InChIKey is VLWBZBQCKWKTIZ-HWACXVBKSA-N. The full InChI is InChI=1S/C11H22O2/c1-6(2)8-5-9(7(3)4)11(13)10(8)12/h6-13H,5H2,1-4H3/t8?,9?,10-,11+.
What are the key properties of cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol has a molecular weight of 186.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol is sourced from PubChem (CID 162463333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).