(4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene

C14H20 — CID 153356652

IUPAC(4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene
SMILESC=C(C)C(=C)C(=C/C(C)=C\C)C(=C)C
InChIInChI=1S/C14H20/c1-8-12(6)9-14(11(4)5)13(7)10(2)3/h8-9H,2,4,7H2,1,3,5-6H3/b12-8-,14-9+
InChIKeyVPZWRRYGGSMUHP-WNEGCBGQSA-N
MW188.31 g/mol
LogP4.59
Rot. Bonds4

About (4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene

(4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene (PubChem CID 153356652) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene.

Molecular Properties

Compound Name(4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene
PubChem CID153356652
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene
SMILESC=C(C)C(=C)C(=C/C(C)=C\C)C(=C)C
InChIInChI=1S/C14H20/c1-8-12(6)9-14(11(4)5)13(7)10(2)3/h8-9H,2,4,7H2,1,3,5-6H3/b12-8-,14-9+
InChIKeyVPZWRRYGGSMUHP-WNEGCBGQSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene with MolForge

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Related Compounds

2,5-dimethyl-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 91175342
(2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene
CID 144541052
(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene
CID 166480860
(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine
CID 142809579
(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-triene
CID 142210415
2,4-dimethyl-3-methylidenepenta-1,4-diene
CID 12913413
ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene
CID 167492357
(2E,4Z)-2-[(E)-but-2-en-2-yl]-4-methylhexa-2,4-dienoic acid
CID 142310927
2-(3,8-dimethyl-6-prop-1-en-2-yldeca-4,6,8-trien-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123631357
(E)-2-prop-1-en-2-ylbut-2-enoic acid
CID 89227365
(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
CID 126728104
2-bromo-4-methylhexa-2,4-diene
CID 76702782

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene?
The IUPAC name of (4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene (CID 153356652) is (4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene.
What is the SMILES notation for (4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene?
The canonical SMILES for (4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene is C=C(C)C(=C)C(=C/C(C)=C\C)C(=C)C.
What is the InChIKey of (4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene?
The InChIKey is VPZWRRYGGSMUHP-WNEGCBGQSA-N. The full InChI is InChI=1S/C14H20/c1-8-12(6)9-14(11(4)5)13(7)10(2)3/h8-9H,2,4,7H2,1,3,5-6H3/b12-8-,14-9+.
What are the key properties of (4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene?
(4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene has a molecular weight of 188.31 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene is sourced from PubChem (CID 153356652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).