3,4-diethyl-5-methylhex-1-ene

C11H22 — CID 22107333

IUPAC3,4-diethyl-5-methylhex-1-ene
SMILESC=CC(CC)C(CC)C(C)C
InChIInChI=1S/C11H22/c1-6-10(7-2)11(8-3)9(4)5/h6,9-11H,1,7-8H2,2-5H3
InChIKeyDQSJAFPUQIAGJK-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.88
Rot. Bonds5

About 3,4-diethyl-5-methylhex-1-ene

3,4-diethyl-5-methylhex-1-ene (PubChem CID 22107333) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3,4-diethyl-5-methylhex-1-ene.

Molecular Properties

Compound Name3,4-diethyl-5-methylhex-1-ene
PubChem CID22107333
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3,4-diethyl-5-methylhex-1-ene
SMILESC=CC(CC)C(CC)C(C)C
InChIInChI=1S/C11H22/c1-6-10(7-2)11(8-3)9(4)5/h6,9-11H,1,7-8H2,2-5H3
InChIKeyDQSJAFPUQIAGJK-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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

4-ethyl-3,5-dimethylhex-1-ene
CID 19044876
4-ethyl-2,3-dimethylhexa-1,5-diene
CID 54442334
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
4-ethenyl-2,3,7-trimethylnonane
CID 91411047
5-ethyl-6-methylhepta-1,3-diene
CID 91204773
3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
CID 140704954
3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
CID 158873092
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
(2S,3S)-3-ethyl-2-methylpent-4-ene-1-sulfinic acid
CID 161372702
ethane;ethene;2-methylbutane;propane
CID 142006499
(3S)-4-propan-2-ylhept-6-en-3-ol
CID 59039473

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5-methylhex-1-ene?
The IUPAC name of 3,4-diethyl-5-methylhex-1-ene (CID 22107333) is 3,4-diethyl-5-methylhex-1-ene.
What is the SMILES notation for 3,4-diethyl-5-methylhex-1-ene?
The canonical SMILES for 3,4-diethyl-5-methylhex-1-ene is C=CC(CC)C(CC)C(C)C.
What is the InChIKey of 3,4-diethyl-5-methylhex-1-ene?
The InChIKey is DQSJAFPUQIAGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-10(7-2)11(8-3)9(4)5/h6,9-11H,1,7-8H2,2-5H3.
What are the key properties of 3,4-diethyl-5-methylhex-1-ene?
3,4-diethyl-5-methylhex-1-ene has a molecular weight of 154.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5-methylhex-1-ene is sourced from PubChem (CID 22107333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).