(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene

C11H16 — CID 166480860

IUPAC(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene
SMILESC=C(C)C(=C)C(=CC)C(=C)C
InChIInChI=1S/C11H16/c1-7-11(9(4)5)10(6)8(2)3/h7H,2,4,6H2,1,3,5H3/b11-7-
InChIKeyBERNLQUBQOEOFA-XFFZJAGNSA-N
MW148.25 g/mol
LogP3.64
Rot. Bonds3

About (4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene

(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene (PubChem CID 166480860) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene.

Molecular Properties

Compound Name(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene
PubChem CID166480860
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene
SMILESC=C(C)C(=C)C(=CC)C(=C)C
InChIInChI=1S/C11H16/c1-7-11(9(4)5)10(6)8(2)3/h7H,2,4,6H2,1,3,5H3/b11-7-
InChIKeyBERNLQUBQOEOFA-XFFZJAGNSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene
CID 153356652
(E)-2-prop-1-en-2-ylbut-2-enoic acid
CID 89227365
2,4-dimethyl-3-methylidenepenta-1,4-diene
CID 12913413
2,5-dimethyl-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 91175342
(1E,4Z,6Z)-4,6-di(ethylidene)-2,11-dimethyl-3,5,7,8,9,10-hexamethylidenedodeca-1,11-diene-1-thiol
CID 166778220
acetyl 2-prop-1-en-2-ylbut-2-enoate
CID 163750148
(2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene
CID 144541052
(2E,4Z)-2-ethenyl-3-methyl-4-prop-1-en-2-ylhexa-2,4-dienenitrile
CID 143819014
(2E,3Z)-3-amino-2-ethylidene-4-iodo-5-methylhexa-3,5-dienoic acid
CID 88853628
(4E,6Z)-4-fluoro-2-methyl-3-methylideneocta-1,4,6-triene
CID 144513621
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
(3E,5Z)-3-methyl-4-(3-methylbuta-1,3-dien-2-yl)hepta-1,3,5-triene
CID 143168001

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene?
The IUPAC name of (4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene (CID 166480860) is (4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene.
What is the SMILES notation for (4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene?
The canonical SMILES for (4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene is C=C(C)C(=C)C(=CC)C(=C)C.
What is the InChIKey of (4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene?
The InChIKey is BERNLQUBQOEOFA-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H16/c1-7-11(9(4)5)10(6)8(2)3/h7H,2,4,6H2,1,3,5H3/b11-7-.
What are the key properties of (4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene?
(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene has a molecular weight of 148.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene is sourced from PubChem (CID 166480860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).