4,4-bis(ethenyl)heptane

C11H20 — CID 154509031

IUPAC4,4-bis(ethenyl)heptane
SMILESC=CC(C=C)(CCC)CCC
InChIInChI=1S/C11H20/c1-5-9-11(7-3,8-4)10-6-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyCQHABNAWKRJSNC-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds6

About 4,4-bis(ethenyl)heptane

4,4-bis(ethenyl)heptane (PubChem CID 154509031) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 4,4-bis(ethenyl)heptane.

Molecular Properties

Compound Name4,4-bis(ethenyl)heptane
PubChem CID154509031
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name4,4-bis(ethenyl)heptane
SMILESC=CC(C=C)(CCC)CCC
InChIInChI=1S/C11H20/c1-5-9-11(7-3,8-4)10-6-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyCQHABNAWKRJSNC-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.94
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

hex-1-ene-3,3-diamine
CID 167559937
7,7-bis(ethenyl)-3-ethylundecane
CID 152731063
4-methyl-4-propylhept-1-ene
CID 139926982
5,5-bis(ethenyl)nona-1,8-diene
CID 100960520
(3S)-3-ethyl-3-methylhex-1-ene;propane-2,2-diol
CID 155705363
3-(chloromethyl)hex-1-en-3-ol
CID 55298140
butane;ethane;ethene;prop-1-ene
CID 144524801
2-ethenyl-N-ethyl-2-methylpentan-1-amine
CID 102640736
3-phenoxyhex-1-en-3-ol
CID 69380942
CID 101008751
CID 101008751
but-1-ene;ethene
CID 19017343
3-methyl-3-(3-methylpentan-3-ylsulfonyl)hex-1-ene
CID 89321533

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethenyl)heptane?
The IUPAC name of 4,4-bis(ethenyl)heptane (CID 154509031) is 4,4-bis(ethenyl)heptane.
What is the SMILES notation for 4,4-bis(ethenyl)heptane?
The canonical SMILES for 4,4-bis(ethenyl)heptane is C=CC(C=C)(CCC)CCC.
What is the InChIKey of 4,4-bis(ethenyl)heptane?
The InChIKey is CQHABNAWKRJSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-9-11(7-3,8-4)10-6-2/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 4,4-bis(ethenyl)heptane?
4,4-bis(ethenyl)heptane has a molecular weight of 152.28 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethenyl)heptane is sourced from PubChem (CID 154509031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).