2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol

C10H16O2 — CID 72978336

IUPAC2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol
SMILESC=C(CO)C1CC=C(CO)CC1
InChIInChI=1S/C10H16O2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2,10-12H,1,3-7H2
InChIKeyYCQPFGALACMUJJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds3

About 2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol

2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol (PubChem CID 72978336) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol
PubChem CID72978336
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol
SMILESC=C(CO)C1CC=C(CO)CC1
InChIInChI=1S/C10H16O2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2,10-12H,1,3-7H2
InChIKeyYCQPFGALACMUJJ-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
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 2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol?
The IUPAC name of 2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol (CID 72978336) is 2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol.
What is the SMILES notation for 2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol?
The canonical SMILES for 2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol is C=C(CO)C1CC=C(CO)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol?
The InChIKey is YCQPFGALACMUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2,10-12H,1,3-7H2.
What are the key properties of 2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol?
2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol is sourced from PubChem (CID 72978336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).