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

C11H22 — CID 23384984

IUPAC4,4-diethyl-5-methylhex-1-ene
SMILESC=CCC(CC)(CC)C(C)C
InChIInChI=1S/C11H22/c1-6-9-11(7-2,8-3)10(4)5/h6,10H,1,7-9H2,2-5H3
InChIKeySFPIBGBZDUJHRO-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds5

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

4,4-diethyl-5-methylhex-1-ene (PubChem CID 23384984) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 4,4-diethyl-5-methylhex-1-ene.

Molecular Properties

Compound Name4,4-diethyl-5-methylhex-1-ene
PubChem CID23384984
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name4,4-diethyl-5-methylhex-1-ene
SMILESC=CCC(CC)(CC)C(C)C
InChIInChI=1S/C11H22/c1-6-9-11(7-2,8-3)10(4)5/h6,10H,1,7-9H2,2-5H3
InChIKeySFPIBGBZDUJHRO-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
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

(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
3,3-diethyl-2-methylpentane;ethane
CID 163394660
5-methyl-4,4-bis(pentoxymethyl)hex-1-ene
CID 176894839
2-(hydroxymethyl)-3-methyl-2-prop-2-enylbutane-1,4-diol
CID 87261252
4-ethenyl-4-propan-2-ylhepta-1,6-diene
CID 23385053
(4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene
CID 59039373
(4S)-4-propan-2-ylhept-1-en-4-ol
CID 59911380
3-ethenyl-3-ethylhex-5-en-2-ol
CID 20501711
4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
CID 153402313
3-amino-2-methylhex-5-en-3-ol
CID 87728442
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
CID 123397627

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-5-methylhex-1-ene?
The IUPAC name of 4,4-diethyl-5-methylhex-1-ene (CID 23384984) is 4,4-diethyl-5-methylhex-1-ene.
What is the SMILES notation for 4,4-diethyl-5-methylhex-1-ene?
The canonical SMILES for 4,4-diethyl-5-methylhex-1-ene is C=CCC(CC)(CC)C(C)C.
What is the InChIKey of 4,4-diethyl-5-methylhex-1-ene?
The InChIKey is SFPIBGBZDUJHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-9-11(7-2,8-3)10(4)5/h6,10H,1,7-9H2,2-5H3.
What are the key properties of 4,4-diethyl-5-methylhex-1-ene?
4,4-diethyl-5-methylhex-1-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-5-methylhex-1-ene is sourced from PubChem (CID 23384984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).