(3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene

C13H20 — CID 170590515

IUPAC(3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene
SMILESC=C(C)/C(C)=C(C(=C)C)/C(C)=C\C
InChIInChI=1S/C13H20/c1-8-11(6)13(10(4)5)12(7)9(2)3/h8H,2,4H2,1,3,5-7H3/b11-8-,13-12+
InChIKeyOLJIPOORSROCOJ-STZLXFPOSA-N
MW176.30 g/mol
LogP4.42
Rot. Bonds3

About (3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene

(3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene (PubChem CID 170590515) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene
PubChem CID170590515
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene
SMILESC=C(C)/C(C)=C(C(=C)C)/C(C)=C\C
InChIInChI=1S/C13H20/c1-8-11(6)13(10(4)5)12(7)9(2)3/h8H,2,4H2,1,3,5-7H3/b11-8-,13-12+
InChIKeyOLJIPOORSROCOJ-STZLXFPOSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.42
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

2,4-dimethyl-3-prop-1-en-2-ylpenta-1,3-diene
CID 142833996
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene
CID 144531005
(3Z)-2-bromo-3-methylpenta-1,3-diene;ethene
CID 144646634
(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 169247779
N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine
CID 138528700
2-methylbut-2-ene;prop-1-ene-2-thiol
CID 156752035
(3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene
CID 20695183
(2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene
CID 144541052
[(2Z)-2,3,4-trimethylpenta-2,4-dienylidene]tungsten
CID 59085840
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene
CID 170590567

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene (CID 170590515) is (3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene is C=C(C)/C(C)=C(C(=C)C)/C(C)=C\C.
What is the InChIKey of (3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene?
The InChIKey is OLJIPOORSROCOJ-STZLXFPOSA-N. The full InChI is InChI=1S/C13H20/c1-8-11(6)13(10(4)5)12(7)9(2)3/h8H,2,4H2,1,3,5-7H3/b11-8-,13-12+.
What are the key properties of (3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene?
(3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene has a molecular weight of 176.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 170590515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).