2-(3,3-dimethylcyclopentyl)ethanol

C9H18O — CID 84648793

IUPAC2-(3,3-dimethylcyclopentyl)ethanol
SMILESCC1(C)CCC(CCO)C1
InChIInChI=1S/C9H18O/c1-9(2)5-3-8(7-9)4-6-10/h8,10H,3-7H2,1-2H3
InChIKeyMHCNKGRXAWXUAX-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.20
Rot. Bonds2

About 2-(3,3-dimethylcyclopentyl)ethanol

2-(3,3-dimethylcyclopentyl)ethanol (PubChem CID 84648793) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(3,3-dimethylcyclopentyl)ethanol
PubChem CID84648793
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-(3,3-dimethylcyclopentyl)ethanol
SMILESCC1(C)CCC(CCO)C1
InChIInChI=1S/C9H18O/c1-9(2)5-3-8(7-9)4-6-10/h8,10H,3-7H2,1-2H3
InChIKeyMHCNKGRXAWXUAX-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylcyclopentyl)ethanol?
The IUPAC name of 2-(3,3-dimethylcyclopentyl)ethanol (CID 84648793) is 2-(3,3-dimethylcyclopentyl)ethanol.
What is the SMILES notation for 2-(3,3-dimethylcyclopentyl)ethanol?
The canonical SMILES for 2-(3,3-dimethylcyclopentyl)ethanol is CC1(C)CCC(CCO)C1.
What is the InChIKey of 2-(3,3-dimethylcyclopentyl)ethanol?
The InChIKey is MHCNKGRXAWXUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-9(2)5-3-8(7-9)4-6-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-(3,3-dimethylcyclopentyl)ethanol?
2-(3,3-dimethylcyclopentyl)ethanol has a molecular weight of 142.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclopentyl)ethanol is sourced from PubChem (CID 84648793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).