cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol

C7H14O2 — CID 162070129

IUPACcis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
SMILESCC1CC[C@H](O)[C@@H]1CO
InChIInChI=1S/C7H14O2/c1-5-2-3-7(9)6(5)4-8/h5-9H,2-4H2,1H3/t5?,6-,7+/m1/s1
InChIKeyZAYVMFMBOQFSBK-FWPZAIACSA-N
MW130.19 g/mol
LogP0.39
Rot. Bonds1

About cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol

cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol (PubChem CID 162070129) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
PubChem CID162070129
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Namecis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
SMILESCC1CC[C@H](O)[C@@H]1CO
InChIInChI=1S/C7H14O2/c1-5-2-3-7(9)6(5)4-8/h5-9H,2-4H2,1H3/t5?,6-,7+/m1/s1
InChIKeyZAYVMFMBOQFSBK-FWPZAIACSA-N
XLogP0.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol
CID 95757404
2,3,4-tris(hydroxymethyl)cyclohexan-1-ol
CID 175425260
2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol
CID 57020694
(2-methyl-5-prop-1-en-2-ylcyclopentyl)methanol
CID 12634580
[(1S,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methanol
CID 129321353
2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol
CID 22483587
(1S,2R,3S)-3-methylcyclopentane-1,2-diol
CID 11863599
cis-(1R,2S)-3-methylcyclopentane-1,2-diol
CID 66664692
2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
CID 140524939
[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol
CID 176666690
3-methyl-2-prop-2-enylcyclohexan-1-ol
CID 71440529
(1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 11644249

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol?
The IUPAC name of cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol (CID 162070129) is cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol is CC1CC[C@H](O)[C@@H]1CO.
What is the InChIKey of cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol?
The InChIKey is ZAYVMFMBOQFSBK-FWPZAIACSA-N. The full InChI is InChI=1S/C7H14O2/c1-5-2-3-7(9)6(5)4-8/h5-9H,2-4H2,1H3/t5?,6-,7+/m1/s1.
What are the key properties of cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol?
cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol is sourced from PubChem (CID 162070129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).