[2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol

C10H18O3 — CID 89150761

IUPAC[2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol
SMILESCC(O)/C=C\C1CCCC1C(O)O
InChIInChI=1S/C10H18O3/c1-7(11)5-6-8-3-2-4-9(8)10(12)13/h5-13H,2-4H2,1H3/b6-5-
InChIKeyVZWBGJNXZNQHBE-WAYWQWQTSA-N
MW186.25 g/mol
LogP0.65
Rot. Bonds3

About [2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol

[2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol (PubChem CID 89150761) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol.

Molecular Properties

Compound Name[2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol
PubChem CID89150761
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol
SMILESCC(O)/C=C\C1CCCC1C(O)O
InChIInChI=1S/C10H18O3/c1-7(11)5-6-8-3-2-4-9(8)10(12)13/h5-13H,2-4H2,1H3/b6-5-
InChIKeyVZWBGJNXZNQHBE-WAYWQWQTSA-N
XLogP0.65
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol?
The IUPAC name of [2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol (CID 89150761) is [2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol.
What is the SMILES notation for [2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol?
The canonical SMILES for [2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol is CC(O)/C=C\C1CCCC1C(O)O.
What is the InChIKey of [2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol?
The InChIKey is VZWBGJNXZNQHBE-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(11)5-6-8-3-2-4-9(8)10(12)13/h5-13H,2-4H2,1H3/b6-5-.
What are the key properties of [2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol?
[2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol has a molecular weight of 186.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-3-hydroxybut-1-enyl]cyclopentyl]methanediol is sourced from PubChem (CID 89150761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).