5-ethenyl-2-prop-2-enoxycyclohexan-1-ol

C11H18O2 — CID 118659582

IUPAC5-ethenyl-2-prop-2-enoxycyclohexan-1-ol
SMILESC=CCOC1CCC(C=C)CC1O
InChIInChI=1S/C11H18O2/c1-3-7-13-11-6-5-9(4-2)8-10(11)12/h3-4,9-12H,1-2,5-8H2
InChIKeyKCYBTTLSOOOZBY-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.90
Rot. Bonds4

About 5-ethenyl-2-prop-2-enoxycyclohexan-1-ol

5-ethenyl-2-prop-2-enoxycyclohexan-1-ol (PubChem CID 118659582) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-ethenyl-2-prop-2-enoxycyclohexan-1-ol.

Molecular Properties

Compound Name5-ethenyl-2-prop-2-enoxycyclohexan-1-ol
PubChem CID118659582
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5-ethenyl-2-prop-2-enoxycyclohexan-1-ol
SMILESC=CCOC1CCC(C=C)CC1O
InChIInChI=1S/C11H18O2/c1-3-7-13-11-6-5-9(4-2)8-10(11)12/h3-4,9-12H,1-2,5-8H2
InChIKeyKCYBTTLSOOOZBY-UHFFFAOYSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
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 5-ethenyl-2-prop-2-enoxycyclohexan-1-ol?
The IUPAC name of 5-ethenyl-2-prop-2-enoxycyclohexan-1-ol (CID 118659582) is 5-ethenyl-2-prop-2-enoxycyclohexan-1-ol.
What is the SMILES notation for 5-ethenyl-2-prop-2-enoxycyclohexan-1-ol?
The canonical SMILES for 5-ethenyl-2-prop-2-enoxycyclohexan-1-ol is C=CCOC1CCC(C=C)CC1O.
What is the InChIKey of 5-ethenyl-2-prop-2-enoxycyclohexan-1-ol?
The InChIKey is KCYBTTLSOOOZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-7-13-11-6-5-9(4-2)8-10(11)12/h3-4,9-12H,1-2,5-8H2.
What are the key properties of 5-ethenyl-2-prop-2-enoxycyclohexan-1-ol?
5-ethenyl-2-prop-2-enoxycyclohexan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-prop-2-enoxycyclohexan-1-ol is sourced from PubChem (CID 118659582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).