(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene

C11H18 — CID 142238134

IUPAC(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
SMILESC=C/C(C)=C(\C=C)CC(C)C
InChIInChI=1S/C11H18/c1-6-10(5)11(7-2)8-9(3)4/h6-7,9H,1-2,8H2,3-5H3/b11-10+
InChIKeyZGTQAZHLXDUUSN-ZHACJKMWSA-N
MW150.26 g/mol
LogP3.72
Rot. Bonds4

About (3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene

(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene (PubChem CID 142238134) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
PubChem CID142238134
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
SMILESC=C/C(C)=C(\C=C)CC(C)C
InChIInChI=1S/C11H18/c1-6-10(5)11(7-2)8-9(3)4/h6-7,9H,1-2,8H2,3-5H3/b11-10+
InChIKeyZGTQAZHLXDUUSN-ZHACJKMWSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
CID 142018052
(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
CID 143045895
ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene
CID 144627723
N,2-dimethylbutan-1-amine;ethane;(4Z)-4-ethenyl-N,5-dimethylhepta-4,6-dien-2-amine
CID 142233777
(3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine
CID 129213118
5-methyl-N-prop-1-en-2-ylhex-1-en-3-imine
CID 145061781
3,4-dimethylpenta-1,3-diene
CID 6713443
(3Z)-3-ethylidene-5-methoxyhex-1-ene
CID 145145637
5-methyl-2-methylidene-3-oxohexanoic acid;tris(prop-2-enoic acid)
CID 175437102
2,4-dimethylpent-1-ene;ethane
CID 143336990
(3Z,5E)-6,8-dimethylnona-1,3,5-triene
CID 174045679
3-methylbutanoic acid;prop-2-enamide
CID 146306740

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene?
The IUPAC name of (3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene (CID 142238134) is (3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene.
What is the SMILES notation for (3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene?
The canonical SMILES for (3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene is C=C/C(C)=C(\C=C)CC(C)C.
What is the InChIKey of (3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene?
The InChIKey is ZGTQAZHLXDUUSN-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H18/c1-6-10(5)11(7-2)8-9(3)4/h6-7,9H,1-2,8H2,3-5H3/b11-10+.
What are the key properties of (3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene?
(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene is sourced from PubChem (CID 142238134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).