trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol

C9H18O2 — CID 45096065

IUPACtrans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol
SMILESCC(C)[C@]1(O)CCC[C@@]1(C)O
InChIInChI=1S/C9H18O2/c1-7(2)9(11)6-4-5-8(9,3)10/h7,10-11H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyDTZZVCJIEAZYJH-RKDXNWHRSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds1

About trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol

trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol (PubChem CID 45096065) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol.

Molecular Properties

Compound Nametrans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol
PubChem CID45096065
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Nametrans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol
SMILESCC(C)[C@]1(O)CCC[C@@]1(C)O
InChIInChI=1S/C9H18O2/c1-7(2)9(11)6-4-5-8(9,3)10/h7,10-11H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyDTZZVCJIEAZYJH-RKDXNWHRSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol
CID 130706001
10-propan-2-ylspiro[4.5]decan-10-ol
CID 130592861
2-methylcyclopentane-1,1,2-triol
CID 139968116
(5R,10R)-4,4,10-trimethylspiro[4.5]decan-10-ol
CID 102083415
1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol
CID 80604395
2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol
CID 130519516
2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid
CID 79863080
1,2-dimethyl-2-propylcyclopentan-1-ol
CID 131101146
2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol
CID 12590009
N-(1-methylcyclobutyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981268
2-(2-hydroxy-1,2-dimethylcyclopentyl)pentan-3-one
CID 130729731
lithium;hydride;1-methylcyclobutan-1-ol
CID 173114997

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol?
The IUPAC name of trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol (CID 45096065) is trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol.
What is the SMILES notation for trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol?
The canonical SMILES for trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol is CC(C)[C@]1(O)CCC[C@@]1(C)O.
What is the InChIKey of trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol?
The InChIKey is DTZZVCJIEAZYJH-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)9(11)6-4-5-8(9,3)10/h7,10-11H,4-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol?
trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol is sourced from PubChem (CID 45096065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).