(1S)-2,2-dimethylcyclopentan-1-ol

C7H14O — CID 13468168

IUPAC(1S)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC[C@@H]1O
InChIInChI=1S/C7H14O/c1-7(2)5-3-4-6(7)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyHHZBHIQGEGSCJF-LURJTMIESA-N
MW114.19 g/mol
LogP1.56
Rot. Bonds

About (1S)-2,2-dimethylcyclopentan-1-ol

(1S)-2,2-dimethylcyclopentan-1-ol (PubChem CID 13468168) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (1S)-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S)-2,2-dimethylcyclopentan-1-ol
PubChem CID13468168
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(1S)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC[C@@H]1O
InChIInChI=1S/C7H14O/c1-7(2)5-3-4-6(7)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyHHZBHIQGEGSCJF-LURJTMIESA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of (1S)-2,2-dimethylcyclopentan-1-ol (CID 13468168) is (1S)-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for (1S)-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for (1S)-2,2-dimethylcyclopentan-1-ol is CC1(C)CCC[C@@H]1O.
What is the InChIKey of (1S)-2,2-dimethylcyclopentan-1-ol?
The InChIKey is HHZBHIQGEGSCJF-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O/c1-7(2)5-3-4-6(7)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-2,2-dimethylcyclopentan-1-ol?
(1S)-2,2-dimethylcyclopentan-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 13468168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).