[(1S)-3,3-dimethylcyclopentyl]methanol

C8H16O — CID 159914707

IUPAC[(1S)-3,3-dimethylcyclopentyl]methanol
SMILESCC1(C)CC[C@H](CO)C1
InChIInChI=1S/C8H16O/c1-8(2)4-3-7(5-8)6-9/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLSZXVUJJTONWHR-ZETCQYMHSA-N
MW128.22 g/mol
LogP1.80
Rot. Bonds1

About [(1S)-3,3-dimethylcyclopentyl]methanol

[(1S)-3,3-dimethylcyclopentyl]methanol (PubChem CID 159914707) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is [(1S)-3,3-dimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S)-3,3-dimethylcyclopentyl]methanol
PubChem CID159914707
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name[(1S)-3,3-dimethylcyclopentyl]methanol
SMILESCC1(C)CC[C@H](CO)C1
InChIInChI=1S/C8H16O/c1-8(2)4-3-7(5-8)6-9/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLSZXVUJJTONWHR-ZETCQYMHSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-3,3-dimethylcyclopentyl]methanol?
The IUPAC name of [(1S)-3,3-dimethylcyclopentyl]methanol (CID 159914707) is [(1S)-3,3-dimethylcyclopentyl]methanol.
What is the SMILES notation for [(1S)-3,3-dimethylcyclopentyl]methanol?
The canonical SMILES for [(1S)-3,3-dimethylcyclopentyl]methanol is CC1(C)CC[C@H](CO)C1.
What is the InChIKey of [(1S)-3,3-dimethylcyclopentyl]methanol?
The InChIKey is LSZXVUJJTONWHR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16O/c1-8(2)4-3-7(5-8)6-9/h7,9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of [(1S)-3,3-dimethylcyclopentyl]methanol?
[(1S)-3,3-dimethylcyclopentyl]methanol has a molecular weight of 128.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3,3-dimethylcyclopentyl]methanol is sourced from PubChem (CID 159914707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).