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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Related Compounds

cis-(2S,5R)-1-ethenyl-5-methyl-2-propan-2-yl-1-prop-2-enoxycyclohexane
CID 11447402
2-Ethenyl-2-methyl-5-prop-1-en-2-yloxane
CID 12346339
4,8,10,10-Tetramethyl-1-oxaspiro[5.5]undec-4-ene
CID 20300342
1,1,3,3-Tetramethyl-5-prop-2-enoxycyclohexane
CID 59050412
7,7,9-Trimethyl-1-oxaspiro[4.5]dec-3-ene
CID 68980472
6-Ethenyl-2,2,3-trimethyloxane
CID 69493428
3-Methyl-1-propan-2-yl-1-prop-2-enoxycyclohexane
CID 70537783
1-Methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane
CID 70556110
7-(Allyloxy)-3,7-dimethyloct-1-ene
CID 85722228
1,1,3-Trimethyl-2-(1-prop-2-enoxyethenyl)cyclohexane
CID 117838349
3-(Allyloxy)-3,7-dimethyloct-1-ene
CID 118936490
1-Tert-butyl-4-(2-methylbut-3-en-2-yloxy)cyclohexane
CID 123499678

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).