(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene

C18H26 — CID 143216884

IUPAC(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene
SMILESC=C/C=C(\C=C/C)C(C)(C)C/C(C=C)=C/C=C\C
InChIInChI=1S/C18H26/c1-7-11-14-16(10-4)15-18(5,6)17(12-8-2)13-9-3/h7-14H,2,4,15H2,1,3,5-6H3/b11-7-,13-9-,16-14+,17-12+
InChIKeyQKSVNUBNWGDMJH-UCKLADJOSA-N
MW242.41 g/mol
LogP5.78
Rot. Bonds7

About (3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene

(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene (PubChem CID 143216884) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is (3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene
PubChem CID143216884
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene
SMILESC=C/C=C(\C=C/C)C(C)(C)C/C(C=C)=C/C=C\C
InChIInChI=1S/C18H26/c1-7-11-14-16(10-4)15-18(5,6)17(12-8-2)13-9-3/h7-14H,2,4,15H2,1,3,5-6H3/b11-7-,13-9-,16-14+,17-12+
InChIKeyQKSVNUBNWGDMJH-UCKLADJOSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene with MolForge

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Related Compounds

[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane
CID 166918085
ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene
CID 145162819
ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
CID 144617318
(3Z,8E)-4-ethenyl-6,6-dimethyldeca-1,3,8-triene
CID 142088084
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
(5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol
CID 134354782
(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene
CID 167239057
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite
CID 153339188
(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
CID 177001360
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate
CID 89020772
ethane;(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
CID 177001359

Frequently Asked Questions

What is the IUPAC name of (3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene?
The IUPAC name of (3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene (CID 143216884) is (3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene.
What is the SMILES notation for (3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene?
The canonical SMILES for (3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene is C=C/C=C(\C=C/C)C(C)(C)C/C(C=C)=C/C=C\C.
What is the InChIKey of (3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene?
The InChIKey is QKSVNUBNWGDMJH-UCKLADJOSA-N. The full InChI is InChI=1S/C18H26/c1-7-11-14-16(10-4)15-18(5,6)17(12-8-2)13-9-3/h7-14H,2,4,15H2,1,3,5-6H3/b11-7-,13-9-,16-14+,17-12+.
What are the key properties of (3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene?
(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene has a molecular weight of 242.41 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene is sourced from PubChem (CID 143216884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).