[(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol

C10H16O2 — CID 11586355

IUPAC[(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol
SMILESC=C(C)[C@H]1C=C[C@@H](CO)[C@H]1CO
InChIInChI=1S/C10H16O2/c1-7(2)9-4-3-8(5-11)10(9)6-12/h3-4,8-12H,1,5-6H2,2H3/t8-,9+,10+/m0/s1
InChIKeyKENYFWOMBPSZDS-IVZWLZJFSA-N
MW168.24 g/mol
LogP0.97
Rot. Bonds3

About [(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol

[(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol (PubChem CID 11586355) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol
PubChem CID11586355
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol
SMILESC=C(C)[C@H]1C=C[C@@H](CO)[C@H]1CO
InChIInChI=1S/C10H16O2/c1-7(2)9-4-3-8(5-11)10(9)6-12/h3-4,8-12H,1,5-6H2,2H3/t8-,9+,10+/m0/s1
InChIKeyKENYFWOMBPSZDS-IVZWLZJFSA-N
XLogP0.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol (CID 11586355) is [(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol is C=C(C)[C@H]1C=C[C@@H](CO)[C@H]1CO.
What is the InChIKey of [(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol?
The InChIKey is KENYFWOMBPSZDS-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)9-4-3-8(5-11)10(9)6-12/h3-4,8-12H,1,5-6H2,2H3/t8-,9+,10+/m0/s1.
What are the key properties of [(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol?
[(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol has a molecular weight of 168.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S,5S)-5-(hydroxymethyl)-4-prop-1-en-2-ylcyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 11586355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).