4-methyl-4-propylhept-2-ene

C11H22 — CID 123389519

IUPAC4-methyl-4-propylhept-2-ene
SMILESCC=CC(C)(CCC)CCC
InChIInChI=1S/C11H22/c1-5-8-11(4,9-6-2)10-7-3/h5,8H,6-7,9-10H2,1-4H3
InChIKeyOBYWXAMBGAGIJC-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds5

About 4-methyl-4-propylhept-2-ene

4-methyl-4-propylhept-2-ene (PubChem CID 123389519) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 4-methyl-4-propylhept-2-ene.

Molecular Properties

Compound Name4-methyl-4-propylhept-2-ene
PubChem CID123389519
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name4-methyl-4-propylhept-2-ene
SMILESCC=CC(C)(CCC)CCC
InChIInChI=1S/C11H22/c1-5-8-11(4,9-6-2)10-7-3/h5,8H,6-7,9-10H2,1-4H3
InChIKeyOBYWXAMBGAGIJC-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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-4-methylnon-2-ene
CID 123220710
(E)-4-ethyl-4-methyldec-2-ene
CID 134979777
(E)-4,4-difluorohept-2-ene;ethane
CID 143807036
2-methyl-2-propylpentanal
CID 12587446
4,4-dimethylnon-2-ene
CID 54495291
(3S)-3-ethyl-3-methylhex-1-ene;propane-2,2-diol
CID 155705363
2-ethenyl-N-ethyl-2-methylpentan-1-amine
CID 102640736
3,3-dimethylhexane
CID 11233
3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine
CID 167154849
N-(2-methylpentan-2-yl)ethanimine
CID 91118241
(E)-4,4-dimethylpent-2-ene
CID 159305896
2,5-dimethyl-5-propylocta-1,3,7-triene
CID 123969278

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propylhept-2-ene?
The IUPAC name of 4-methyl-4-propylhept-2-ene (CID 123389519) is 4-methyl-4-propylhept-2-ene.
What is the SMILES notation for 4-methyl-4-propylhept-2-ene?
The canonical SMILES for 4-methyl-4-propylhept-2-ene is CC=CC(C)(CCC)CCC.
What is the InChIKey of 4-methyl-4-propylhept-2-ene?
The InChIKey is OBYWXAMBGAGIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-8-11(4,9-6-2)10-7-3/h5,8H,6-7,9-10H2,1-4H3.
What are the key properties of 4-methyl-4-propylhept-2-ene?
4-methyl-4-propylhept-2-ene has a molecular weight of 154.30 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propylhept-2-ene is sourced from PubChem (CID 123389519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).