3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene

C16H30O — CID 57088999

IUPAC3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene
SMILESCC(C=COC=CC(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H30O/c1-13(15(3,4)5)9-11-17-12-10-14(2)16(6,7)8/h9-14H,1-8H3
InChIKeyBWGVTCLBTQMVDE-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.39
Rot. Bonds4

About 3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene

3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene (PubChem CID 57088999) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene.

Molecular Properties

Compound Name3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene
PubChem CID57088999
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene
SMILESCC(C=COC=CC(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H30O/c1-13(15(3,4)5)9-11-17-12-10-14(2)16(6,7)8/h9-14H,1-8H3
InChIKeyBWGVTCLBTQMVDE-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-tert-Butyl-2,3-dihydrofuran
CID 549595
3,5,5-Trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene
CID 91174949
tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane
CID 10070568
tributyl-[(Z)-1-ethoxy-4,4-dimethylpent-1-en-3-yl]stannane
CID 10388012
cis-(4-Methyl-1-pentenyl) ethyl ether
CID 5462938
1-Ethoxy-4-methylpent-1-ene
CID 140159
(1E)-1-methoxy-3,3-dimethylhexa-1,5-diene
CID 13967093
4-Ethyl-1-(4-ethylhex-1-enoxy)hex-1-ene
CID 57027868
3-Methyl-1-(3-methylpent-1-enoxy)pent-1-ene
CID 57069302
1-(3,3-Dimethylpent-1-enoxy)-3,3-dimethylpent-1-ene
CID 57246354
4-Methyl-1-(4-methylpent-1-enoxy)pent-1-ene
CID 57254373
3,3-Di(propan-2-yl)-2,4-dihydropyran
CID 58056082

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene?
The IUPAC name of 3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene (CID 57088999) is 3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene.
What is the SMILES notation for 3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene?
The canonical SMILES for 3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene is CC(C=COC=CC(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene?
The InChIKey is BWGVTCLBTQMVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-13(15(3,4)5)9-11-17-12-10-14(2)16(6,7)8/h9-14H,1-8H3.
What are the key properties of 3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene?
3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene has a molecular weight of 238.41 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-(3,4,4-trimethylpent-1-enoxy)pent-1-ene is sourced from PubChem (CID 57088999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).