4,5-diethylhept-1-ene

C11H22 — CID 123746760

IUPAC4,5-diethylhept-1-ene
SMILESC=CCC(CC)C(CC)CC
InChIInChI=1S/C11H22/c1-5-9-11(8-4)10(6-2)7-3/h5,10-11H,1,6-9H2,2-4H3
InChIKeyKCEMOQWOPLOOGB-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds6

About 4,5-diethylhept-1-ene

4,5-diethylhept-1-ene (PubChem CID 123746760) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 4,5-diethylhept-1-ene.

Molecular Properties

Compound Name4,5-diethylhept-1-ene
PubChem CID123746760
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name4,5-diethylhept-1-ene
SMILESC=CCC(CC)C(CC)CC
InChIInChI=1S/C11H22/c1-5-9-11(8-4)10(6-2)7-3/h5,10-11H,1,6-9H2,2-4H3
InChIKeyKCEMOQWOPLOOGB-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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

4-ethyl-5,6-dimethyloct-1-ene
CID 123882592
4-propan-2-ylhepta-1,6-diene
CID 14140894
3,4-diethylhexanal
CID 141064811
ethene;4-ethylhex-1-ene
CID 159399050
(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
3,4-diethylhexane;ethane
CID 178112158
5-ethyl-4-methylnon-1-ene
CID 22027489
sodium;hydride;4-methylhex-1-ene
CID 173048656
5-prop-2-enyl-4-propyldec-1-ene
CID 173236567
methane;(4R)-4-propan-2-yloct-1-ene
CID 159803024
4-propan-2-ylnon-1-ene
CID 173177475

Frequently Asked Questions

What is the IUPAC name of 4,5-diethylhept-1-ene?
The IUPAC name of 4,5-diethylhept-1-ene (CID 123746760) is 4,5-diethylhept-1-ene.
What is the SMILES notation for 4,5-diethylhept-1-ene?
The canonical SMILES for 4,5-diethylhept-1-ene is C=CCC(CC)C(CC)CC.
What is the InChIKey of 4,5-diethylhept-1-ene?
The InChIKey is KCEMOQWOPLOOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-9-11(8-4)10(6-2)7-3/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of 4,5-diethylhept-1-ene?
4,5-diethylhept-1-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethylhept-1-ene is sourced from PubChem (CID 123746760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).