1-prop-2-enyl-1-prop-2-ynoxycyclohexane

C12H18O — CID 11830007

IUPAC1-prop-2-enyl-1-prop-2-ynoxycyclohexane
SMILESC#CCOC1(CC=C)CCCCC1
InChIInChI=1S/C12H18O/c1-3-8-12(13-11-4-2)9-6-5-7-10-12/h2-3H,1,5-11H2
InChIKeyBYCPVCFKWQBXJF-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.92
Rot. Bonds4

About 1-prop-2-enyl-1-prop-2-ynoxycyclohexane

1-prop-2-enyl-1-prop-2-ynoxycyclohexane (PubChem CID 11830007) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-prop-2-enyl-1-prop-2-ynoxycyclohexane.

Molecular Properties

Compound Name1-prop-2-enyl-1-prop-2-ynoxycyclohexane
PubChem CID11830007
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-prop-2-enyl-1-prop-2-ynoxycyclohexane
SMILESC#CCOC1(CC=C)CCCCC1
InChIInChI=1S/C12H18O/c1-3-8-12(13-11-4-2)9-6-5-7-10-12/h2-3H,1,5-11H2
InChIKeyBYCPVCFKWQBXJF-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-1-prop-2-ynoxycyclohexane?
The IUPAC name of 1-prop-2-enyl-1-prop-2-ynoxycyclohexane (CID 11830007) is 1-prop-2-enyl-1-prop-2-ynoxycyclohexane.
What is the SMILES notation for 1-prop-2-enyl-1-prop-2-ynoxycyclohexane?
The canonical SMILES for 1-prop-2-enyl-1-prop-2-ynoxycyclohexane is C#CCOC1(CC=C)CCCCC1.
What is the InChIKey of 1-prop-2-enyl-1-prop-2-ynoxycyclohexane?
The InChIKey is BYCPVCFKWQBXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-8-12(13-11-4-2)9-6-5-7-10-12/h2-3H,1,5-11H2.
What are the key properties of 1-prop-2-enyl-1-prop-2-ynoxycyclohexane?
1-prop-2-enyl-1-prop-2-ynoxycyclohexane has a molecular weight of 178.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-1-prop-2-ynoxycyclohexane is sourced from PubChem (CID 11830007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).