3,3-dimethylcyclopentane-1,2-diol

C7H14O2 — CID 22245615

IUPAC3,3-dimethylcyclopentane-1,2-diol
SMILESCC1(C)CCC(O)C1O
InChIInChI=1S/C7H14O2/c1-7(2)4-3-5(8)6(7)9/h5-6,8-9H,3-4H2,1-2H3
InChIKeyBQNVNLVPNSRNBZ-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.53
Rot. Bonds

About 3,3-dimethylcyclopentane-1,2-diol

3,3-dimethylcyclopentane-1,2-diol (PubChem CID 22245615) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3,3-dimethylcyclopentane-1,2-diol.

Molecular Properties

Compound Name3,3-dimethylcyclopentane-1,2-diol
PubChem CID22245615
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3,3-dimethylcyclopentane-1,2-diol
SMILESCC1(C)CCC(O)C1O
InChIInChI=1S/C7H14O2/c1-7(2)4-3-5(8)6(7)9/h5-6,8-9H,3-4H2,1-2H3
InChIKeyBQNVNLVPNSRNBZ-UHFFFAOYSA-N
XLogP0.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
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 3,3-dimethylcyclopentane-1,2-diol?
The IUPAC name of 3,3-dimethylcyclopentane-1,2-diol (CID 22245615) is 3,3-dimethylcyclopentane-1,2-diol.
What is the SMILES notation for 3,3-dimethylcyclopentane-1,2-diol?
The canonical SMILES for 3,3-dimethylcyclopentane-1,2-diol is CC1(C)CCC(O)C1O.
What is the InChIKey of 3,3-dimethylcyclopentane-1,2-diol?
The InChIKey is BQNVNLVPNSRNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2)4-3-5(8)6(7)9/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 3,3-dimethylcyclopentane-1,2-diol?
3,3-dimethylcyclopentane-1,2-diol has a molecular weight of 130.19 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylcyclopentane-1,2-diol is sourced from PubChem (CID 22245615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).