1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane

C14H24O — CID 89213606

IUPAC1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane
SMILESC=CCOC1(C=C)CC(C)CC(C)(C)C1
InChIInChI=1S/C14H24O/c1-6-8-15-14(7-2)10-12(3)9-13(4,5)11-14/h6-7,12H,1-2,8-11H2,3-5H3
InChIKeyLNBHETJWEZGURV-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.96
Rot. Bonds4

About 1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane

1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane (PubChem CID 89213606) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane
PubChem CID89213606
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane
SMILESC=CCOC1(C=C)CC(C)CC(C)(C)C1
InChIInChI=1S/C14H24O/c1-6-8-15-14(7-2)10-12(3)9-13(4,5)11-14/h6-7,12H,1-2,8-11H2,3-5H3
InChIKeyLNBHETJWEZGURV-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane?
The IUPAC name of 1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane (CID 89213606) is 1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane.
What is the SMILES notation for 1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane?
The canonical SMILES for 1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane is C=CCOC1(C=C)CC(C)CC(C)(C)C1.
What is the InChIKey of 1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane?
The InChIKey is LNBHETJWEZGURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-6-8-15-14(7-2)10-12(3)9-13(4,5)11-14/h6-7,12H,1-2,8-11H2,3-5H3.
What are the key properties of 1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane?
1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane has a molecular weight of 208.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,3,5-trimethyl-1-prop-2-enoxycyclohexane is sourced from PubChem (CID 89213606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).