(4E)-2,3,5-trimethylocta-2,4-diene

C11H20 — CID 144603275

IUPAC(4E)-2,3,5-trimethylocta-2,4-diene
SMILESCCC/C(C)=C/C(C)=C(C)C
InChIInChI=1S/C11H20/c1-6-7-10(4)8-11(5)9(2)3/h8H,6-7H2,1-5H3/b10-8+
InChIKeyASYXNUKHWNJBBR-CSKARUKUSA-N
MW152.28 g/mol
LogP4.09
Rot. Bonds3

About (4E)-2,3,5-trimethylocta-2,4-diene

(4E)-2,3,5-trimethylocta-2,4-diene (PubChem CID 144603275) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (4E)-2,3,5-trimethylocta-2,4-diene.

Molecular Properties

Compound Name(4E)-2,3,5-trimethylocta-2,4-diene
PubChem CID144603275
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(4E)-2,3,5-trimethylocta-2,4-diene
SMILESCCC/C(C)=C/C(C)=C(C)C
InChIInChI=1S/C11H20/c1-6-7-10(4)8-11(5)9(2)3/h8H,6-7H2,1-5H3/b10-8+
InChIKeyASYXNUKHWNJBBR-CSKARUKUSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 54.09
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

(2E,4Z)-5-methyl-2,3-dipropylocta-2,4-dienenitrile
CID 137434733
2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene
CID 57106864
1-iodo-2-methylpent-1-ene
CID 73232688
1-[(4E)-6,7-dimethylocta-4,6-dien-4-yl]-4-methylbenzene
CID 155591182
2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene
CID 175555923
methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium
CID 153404287
(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid
CID 172767387
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
(E)-N,N-diethyl-2-methylpent-1-en-1-amine
CID 15094783
N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine
CID 5373916

Frequently Asked Questions

What is the IUPAC name of (4E)-2,3,5-trimethylocta-2,4-diene?
The IUPAC name of (4E)-2,3,5-trimethylocta-2,4-diene (CID 144603275) is (4E)-2,3,5-trimethylocta-2,4-diene.
What is the SMILES notation for (4E)-2,3,5-trimethylocta-2,4-diene?
The canonical SMILES for (4E)-2,3,5-trimethylocta-2,4-diene is CCC/C(C)=C/C(C)=C(C)C.
What is the InChIKey of (4E)-2,3,5-trimethylocta-2,4-diene?
The InChIKey is ASYXNUKHWNJBBR-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20/c1-6-7-10(4)8-11(5)9(2)3/h8H,6-7H2,1-5H3/b10-8+.
What are the key properties of (4E)-2,3,5-trimethylocta-2,4-diene?
(4E)-2,3,5-trimethylocta-2,4-diene has a molecular weight of 152.28 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,3,5-trimethylocta-2,4-diene is sourced from PubChem (CID 144603275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).