(4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene

C14H24 — CID 145265652

IUPAC(4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene
SMILESC=C(C)/C(C(C)=C(C)C)=C(/C)CCC
InChIInChI=1S/C14H24/c1-8-9-12(6)14(11(4)5)13(7)10(2)3/h4,8-9H2,1-3,5-7H3/b14-12+
InChIKeyKYQFSDUOIKGIPA-WYMLVPIESA-N
MW192.35 g/mol
LogP5.04
Rot. Bonds4

About (4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene

(4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene (PubChem CID 145265652) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is (4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene.

Molecular Properties

Compound Name(4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene
PubChem CID145265652
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name(4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene
SMILESC=C(C)/C(C(C)=C(C)C)=C(/C)CCC
InChIInChI=1S/C14H24/c1-8-9-12(6)14(11(4)5)13(7)10(2)3/h4,8-9H2,1-3,5-7H3/b14-12+
InChIKeyKYQFSDUOIKGIPA-WYMLVPIESA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.35
LogP ≤ 55.04
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

(E)-4,5-dimethyloct-4-ene
CID 12714364
2,3-dimethylhex-2-ene;ethane
CID 144601748
2,4-dimethyl-3-prop-1-en-2-ylpenta-1,3-diene
CID 142833996
methane;hexakis(2-methylpent-1-ene)
CID 175346690
(Z)-5,6-dimethylnon-5-en-4-one
CID 176967590
6-ethyl-7-methyl-3-methylidenedeca-1,6-diene
CID 54189290
4,5-dimethylideneoctane
CID 13294231
3,4,5-trimethylocta-2,4-diene
CID 54130832
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
heptan-4-imine;2-methylprop-1-ene
CID 175527412
sodium;hydride;2-methylpent-1-ene
CID 174251970
3-methylidene-5-propan-2-ylideneoct-1-ene
CID 18368536

Frequently Asked Questions

What is the IUPAC name of (4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene?
The IUPAC name of (4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene (CID 145265652) is (4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene.
What is the SMILES notation for (4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene?
The canonical SMILES for (4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene is C=C(C)/C(C(C)=C(C)C)=C(/C)CCC.
What is the InChIKey of (4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene?
The InChIKey is KYQFSDUOIKGIPA-WYMLVPIESA-N. The full InChI is InChI=1S/C14H24/c1-8-9-12(6)14(11(4)5)13(7)10(2)3/h4,8-9H2,1-3,5-7H3/b14-12+.
What are the key properties of (4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene?
(4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene has a molecular weight of 192.35 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene is sourced from PubChem (CID 145265652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).