cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol

C7H14O2 — CID 135069309

IUPACcis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol
SMILESC[C@]1(CO)CCC[C@H]1O
InChIInChI=1S/C7H14O2/c1-7(5-8)4-2-3-6(7)9/h6,8-9H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyASOYCZNOWRMUNI-RNFRBKRXSA-N
MW130.19 g/mol
LogP0.53
Rot. Bonds1

About cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol

cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol (PubChem CID 135069309) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol
PubChem CID135069309
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Namecis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol
SMILESC[C@]1(CO)CCC[C@H]1O
InChIInChI=1S/C7H14O2/c1-7(5-8)4-2-3-6(7)9/h6,8-9H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyASOYCZNOWRMUNI-RNFRBKRXSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol (CID 135069309) is cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol is C[C@]1(CO)CCC[C@H]1O.
What is the InChIKey of cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol?
The InChIKey is ASOYCZNOWRMUNI-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(5-8)4-2-3-6(7)9/h6,8-9H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol?
cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 135069309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).