1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene

C14H24O2 — CID 70404962

IUPAC1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(C(OCC)OCC)CC1
InChIInChI=1S/C14H24O2/c1-5-15-14(16-6-2)13-9-7-12(8-10-13)11(3)4/h9,12,14H,3,5-8,10H2,1-2,4H3
InChIKeyGQLQPKSWDILZCA-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds6

About 1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene

1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene (PubChem CID 70404962) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene
PubChem CID70404962
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(C(OCC)OCC)CC1
InChIInChI=1S/C14H24O2/c1-5-15-14(16-6-2)13-9-7-12(8-10-13)11(3)4/h9,12,14H,3,5-8,10H2,1-2,4H3
InChIKeyGQLQPKSWDILZCA-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of 1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene (CID 70404962) is 1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CC=C(C(OCC)OCC)CC1.
What is the InChIKey of 1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene?
The InChIKey is GQLQPKSWDILZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-15-14(16-6-2)13-9-7-12(8-10-13)11(3)4/h9,12,14H,3,5-8,10H2,1-2,4H3.
What are the key properties of 1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene?
1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene has a molecular weight of 224.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 70404962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).