[(1S)-3-methylidenecyclopentyl]methanol

C7H12O — CID 13331958

IUPAC[(1S)-3-methylidenecyclopentyl]methanol
SMILESC=C1CC[C@H](CO)C1
InChIInChI=1S/C7H12O/c1-6-2-3-7(4-6)5-8/h7-8H,1-5H2/t7-/m0/s1
InChIKeyUBAQZWUNFLAHKC-ZETCQYMHSA-N
MW112.17 g/mol
LogP1.34
Rot. Bonds1

About [(1S)-3-methylidenecyclopentyl]methanol

[(1S)-3-methylidenecyclopentyl]methanol (PubChem CID 13331958) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is [(1S)-3-methylidenecyclopentyl]methanol.

Molecular Properties

Compound Name[(1S)-3-methylidenecyclopentyl]methanol
PubChem CID13331958
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name[(1S)-3-methylidenecyclopentyl]methanol
SMILESC=C1CC[C@H](CO)C1
InChIInChI=1S/C7H12O/c1-6-2-3-7(4-6)5-8/h7-8H,1-5H2/t7-/m0/s1
InChIKeyUBAQZWUNFLAHKC-ZETCQYMHSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-3-methylidenecyclopentyl]methanol?
The IUPAC name of [(1S)-3-methylidenecyclopentyl]methanol (CID 13331958) is [(1S)-3-methylidenecyclopentyl]methanol.
What is the SMILES notation for [(1S)-3-methylidenecyclopentyl]methanol?
The canonical SMILES for [(1S)-3-methylidenecyclopentyl]methanol is C=C1CC[C@H](CO)C1.
What is the InChIKey of [(1S)-3-methylidenecyclopentyl]methanol?
The InChIKey is UBAQZWUNFLAHKC-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O/c1-6-2-3-7(4-6)5-8/h7-8H,1-5H2/t7-/m0/s1.
What are the key properties of [(1S)-3-methylidenecyclopentyl]methanol?
[(1S)-3-methylidenecyclopentyl]methanol has a molecular weight of 112.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-methylidenecyclopentyl]methanol is sourced from PubChem (CID 13331958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).