(3E)-2,3,4-trimethylhepta-1,3,5-triene

C10H16 — CID 161260818

IUPAC(3E)-2,3,4-trimethylhepta-1,3,5-triene
SMILESC=C(C)/C(C)=C(\C)C=CC
InChIInChI=1S/C10H16/c1-6-7-9(4)10(5)8(2)3/h6-7H,2H2,1,3-5H3/b7-6?,10-9+
InChIKeyUYMZPNMCCIMHIP-VGAVRCOMSA-N
MW136.24 g/mol
LogP3.47
Rot. Bonds2

About (3E)-2,3,4-trimethylhepta-1,3,5-triene

(3E)-2,3,4-trimethylhepta-1,3,5-triene (PubChem CID 161260818) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (3E)-2,3,4-trimethylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E)-2,3,4-trimethylhepta-1,3,5-triene
PubChem CID161260818
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(3E)-2,3,4-trimethylhepta-1,3,5-triene
SMILESC=C(C)/C(C)=C(\C)C=CC
InChIInChI=1S/C10H16/c1-6-7-9(4)10(5)8(2)3/h6-7H,2H2,1,3-5H3/b7-6?,10-9+
InChIKeyUYMZPNMCCIMHIP-VGAVRCOMSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.47
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

(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine
CID 144635572
(3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene
CID 118070320
(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
(3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine
CID 144984649
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 123254691
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
[(2Z)-2,3,4-trimethylpenta-2,4-dienylidene]tungsten
CID 59085840
4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene
CID 59890757
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(4Z)-2-methyl-3-propan-2-ylidenehexa-1,4-diene
CID 142293143

Frequently Asked Questions

What is the IUPAC name of (3E)-2,3,4-trimethylhepta-1,3,5-triene?
The IUPAC name of (3E)-2,3,4-trimethylhepta-1,3,5-triene (CID 161260818) is (3E)-2,3,4-trimethylhepta-1,3,5-triene.
What is the SMILES notation for (3E)-2,3,4-trimethylhepta-1,3,5-triene?
The canonical SMILES for (3E)-2,3,4-trimethylhepta-1,3,5-triene is C=C(C)/C(C)=C(\C)C=CC.
What is the InChIKey of (3E)-2,3,4-trimethylhepta-1,3,5-triene?
The InChIKey is UYMZPNMCCIMHIP-VGAVRCOMSA-N. The full InChI is InChI=1S/C10H16/c1-6-7-9(4)10(5)8(2)3/h6-7H,2H2,1,3-5H3/b7-6?,10-9+.
What are the key properties of (3E)-2,3,4-trimethylhepta-1,3,5-triene?
(3E)-2,3,4-trimethylhepta-1,3,5-triene has a molecular weight of 136.24 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,3,4-trimethylhepta-1,3,5-triene is sourced from PubChem (CID 161260818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).