3-ethyl-4,4,5-trimethylhex-1-ene

C11H22 — CID 22107331

IUPAC3-ethyl-4,4,5-trimethylhex-1-ene
SMILESC=CC(CC)C(C)(C)C(C)C
InChIInChI=1S/C11H22/c1-7-10(8-2)11(5,6)9(3)4/h7,9-10H,1,8H2,2-6H3
InChIKeyVKFDTADOTFBPDD-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.88
Rot. Bonds4

About 3-ethyl-4,4,5-trimethylhex-1-ene

3-ethyl-4,4,5-trimethylhex-1-ene (PubChem CID 22107331) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3-ethyl-4,4,5-trimethylhex-1-ene.

Molecular Properties

Compound Name3-ethyl-4,4,5-trimethylhex-1-ene
PubChem CID22107331
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3-ethyl-4,4,5-trimethylhex-1-ene
SMILESC=CC(CC)C(C)(C)C(C)C
InChIInChI=1S/C11H22/c1-7-10(8-2)11(5,6)9(3)4/h7,9-10H,1,8H2,2-6H3
InChIKeyVKFDTADOTFBPDD-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-ethyl-2,2-dimethylpent-4-enal
CID 101372299
(4-ethyl-3-methylhexa-1,5-dien-3-yl) prop-2-enoate
CID 151459288
4-ethyl-3,4-dimethylhex-1-ene
CID 19044878
[(2Z)-6-ethyl-5-methyl-5-propan-2-ylocta-2,7-dien-4-yl] acetate
CID 129071112
2-tert-butyl-N-methylbut-3-en-1-amine
CID 134342155
N-butan-2-yl-4,4-dimethylpent-1-en-3-amine
CID 89195459
4-ethenyl-3,5-dimethylheptane
CID 90755259
(3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine
CID 163855616
butan-2-yl-ethenyl-bis[(2-methylpropan-2-yl)oxy]silane
CID 22242240
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
3-ethylpentane;2,2,3-trimethylbutane
CID 159696459
but-1-ene;2-methylbutane
CID 142013560

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,4,5-trimethylhex-1-ene?
The IUPAC name of 3-ethyl-4,4,5-trimethylhex-1-ene (CID 22107331) is 3-ethyl-4,4,5-trimethylhex-1-ene.
What is the SMILES notation for 3-ethyl-4,4,5-trimethylhex-1-ene?
The canonical SMILES for 3-ethyl-4,4,5-trimethylhex-1-ene is C=CC(CC)C(C)(C)C(C)C.
What is the InChIKey of 3-ethyl-4,4,5-trimethylhex-1-ene?
The InChIKey is VKFDTADOTFBPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-7-10(8-2)11(5,6)9(3)4/h7,9-10H,1,8H2,2-6H3.
What are the key properties of 3-ethyl-4,4,5-trimethylhex-1-ene?
3-ethyl-4,4,5-trimethylhex-1-ene has a molecular weight of 154.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4,5-trimethylhex-1-ene is sourced from PubChem (CID 22107331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).