(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene

C14H20 — CID 163402512

IUPAC(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
SMILESC=C(C)/C(C)=C/C=C\C(=C/C)C(=C)C
InChIInChI=1S/C14H20/c1-7-14(12(4)5)10-8-9-13(6)11(2)3/h7-10H,2,4H2,1,3,5-6H3/b10-8-,13-9+,14-7+
InChIKeyCXHWBKOKSCXVLR-CTCWIYERSA-N
MW188.31 g/mol
LogP4.59
Rot. Bonds4

About (3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene

(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene (PubChem CID 163402512) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
PubChem CID163402512
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
SMILESC=C(C)/C(C)=C/C=C\C(=C/C)C(=C)C
InChIInChI=1S/C14H20/c1-7-14(12(4)5)10-8-9-13(6)11(2)3/h7-10H,2,4H2,1,3,5-6H3/b10-8-,13-9+,14-7+
InChIKeyCXHWBKOKSCXVLR-CTCWIYERSA-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 (3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene 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

(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
methane;(2Z,4E,6E,8E)-5-prop-1-en-2-yldeca-2,4,6,8-tetraene
CID 163241404
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
(1Z)-2,3-dimethylbuta-1,3-dien-1-ol
CID 143116210
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
CID 58730070
3-ethylidene-2,6-dimethylocta-1,4-diene
CID 90690181
(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363501
(3Z)-2-bromo-6-methylhepta-1,3,5-triene
CID 118586502
(2E)-2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trienylidene]-1-methylaziridine
CID 20700832
(1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine
CID 155480081

Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene?
The IUPAC name of (3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene (CID 163402512) is (3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene?
The canonical SMILES for (3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene is C=C(C)/C(C)=C/C=C\C(=C/C)C(=C)C.
What is the InChIKey of (3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene?
The InChIKey is CXHWBKOKSCXVLR-CTCWIYERSA-N. The full InChI is InChI=1S/C14H20/c1-7-14(12(4)5)10-8-9-13(6)11(2)3/h7-10H,2,4H2,1,3,5-6H3/b10-8-,13-9+,14-7+.
What are the key properties of (3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene?
(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene 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 (3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene is sourced from PubChem (CID 163402512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).