4-methyl-4-propylhept-1-ene

C11H22 — CID 139926982

IUPAC4-methyl-4-propylhept-1-ene
SMILESC=CCC(C)(CCC)CCC
InChIInChI=1S/C11H22/c1-5-8-11(4,9-6-2)10-7-3/h5H,1,6-10H2,2-4H3
InChIKeyDFAFZZIOLFAFBM-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds6

About 4-methyl-4-propylhept-1-ene

4-methyl-4-propylhept-1-ene (PubChem CID 139926982) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 4-methyl-4-propylhept-1-ene.

Molecular Properties

Compound Name4-methyl-4-propylhept-1-ene
PubChem CID139926982
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name4-methyl-4-propylhept-1-ene
SMILESC=CCC(C)(CCC)CCC
InChIInChI=1S/C11H22/c1-5-8-11(4,9-6-2)10-7-3/h5H,1,6-10H2,2-4H3
InChIKeyDFAFZZIOLFAFBM-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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-4,7,7-trimethylnon-1-ene
CID 123137671
4,4-bis(ethenyl)heptane
CID 154509031
2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
CID 173037524
2,5-dimethyl-5-propylocta-1,3,7-triene
CID 123969278
4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine
CID 87405810
N,2-dimethyl-2-prop-2-enylpent-4-en-1-amine
CID 153496767
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
4-ethyl-4,8-dimethylnon-1-ene
CID 23657619
(4S)-4-propan-2-ylhept-1-en-4-ol
CID 59911380
4,4,7-trimethylundec-1-ene
CID 143332601
4,7-dimethyldeca-1,9-diene-4,7-diamine
CID 10774290
4-ethyl-2,2,4-trimethylhept-6-en-1-ol
CID 91612819

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propylhept-1-ene?
The IUPAC name of 4-methyl-4-propylhept-1-ene (CID 139926982) is 4-methyl-4-propylhept-1-ene.
What is the SMILES notation for 4-methyl-4-propylhept-1-ene?
The canonical SMILES for 4-methyl-4-propylhept-1-ene is C=CCC(C)(CCC)CCC.
What is the InChIKey of 4-methyl-4-propylhept-1-ene?
The InChIKey is DFAFZZIOLFAFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-8-11(4,9-6-2)10-7-3/h5H,1,6-10H2,2-4H3.
What are the key properties of 4-methyl-4-propylhept-1-ene?
4-methyl-4-propylhept-1-ene has a molecular weight of 154.30 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propylhept-1-ene is sourced from PubChem (CID 139926982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).