1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene

C14H24O — CID 71140432

IUPAC1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene
SMILESCC(C)=CCOC1C=C(C)CC(C)(C)C1
InChIInChI=1S/C14H24O/c1-11(2)6-7-15-13-8-12(3)9-14(4,5)10-13/h6,8,13H,7,9-10H2,1-5H3
InChIKeyVGWALDHJERMOGS-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.10
Rot. Bonds3

About 1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene

1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene (PubChem CID 71140432) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene.

Molecular Properties

Compound Name1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene
PubChem CID71140432
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene
SMILESCC(C)=CCOC1C=C(C)CC(C)(C)C1
InChIInChI=1S/C14H24O/c1-11(2)6-7-15-13-8-12(3)9-14(4,5)10-13/h6,8,13H,7,9-10H2,1-5H3
InChIKeyVGWALDHJERMOGS-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.10
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 1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene?
The IUPAC name of 1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene (CID 71140432) is 1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene.
What is the SMILES notation for 1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene?
The canonical SMILES for 1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene is CC(C)=CCOC1C=C(C)CC(C)(C)C1.
What is the InChIKey of 1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene?
The InChIKey is VGWALDHJERMOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)6-7-15-13-8-12(3)9-14(4,5)10-13/h6,8,13H,7,9-10H2,1-5H3.
What are the key properties of 1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene?
1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene has a molecular weight of 208.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-3-(3-methylbut-2-enoxy)cyclohexene is sourced from PubChem (CID 71140432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).