3,4,6-trimethylhepta-1,4-diene

C10H18 — CID 123908234

IUPAC3,4,6-trimethylhepta-1,4-diene
SMILESC=CC(C)C(C)=CC(C)C
InChIInChI=1S/C10H18/c1-6-9(4)10(5)7-8(2)3/h6-9H,1H2,2-5H3
InChIKeyDHUJQBNFQSODJA-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.41
Rot. Bonds3

About 3,4,6-trimethylhepta-1,4-diene

3,4,6-trimethylhepta-1,4-diene (PubChem CID 123908234) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3,4,6-trimethylhepta-1,4-diene.

Molecular Properties

Compound Name3,4,6-trimethylhepta-1,4-diene
PubChem CID123908234
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3,4,6-trimethylhepta-1,4-diene
SMILESC=CC(C)C(C)=CC(C)C
InChIInChI=1S/C10H18/c1-6-9(4)10(5)7-8(2)3/h6-9H,1H2,2-5H3
InChIKeyDHUJQBNFQSODJA-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylpenta-1,4-dienyl)ethanimine
CID 123735298
(Z)-N,N,3,5-tetramethylhex-3-en-2-amine
CID 156531343
3-methylbut-1-ene;hydrobromide
CID 158395600
2,3,5-trimethylhexa-1,3-diene
CID 572950
methane;methanol;3-methylbut-1-ene;2-methylpropane
CID 160799549
3,4,5-trimethylhepta-1,4-diene
CID 91009092
methanamine;3-methylbut-1-ene
CID 161011072
ethane;ethene;3-methylbut-1-ene
CID 145381296
(Z)-2,5-dimethylhex-3-en-3-ol
CID 59212039
(Z)-4-methylpent-2-en-2-amine
CID 154483305
N-ethyl-3,5-dimethylhex-3-en-2-amine
CID 103093389
(Z)-3-iodo-5-methylhex-3-en-2-one
CID 100963485

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethylhepta-1,4-diene?
The IUPAC name of 3,4,6-trimethylhepta-1,4-diene (CID 123908234) is 3,4,6-trimethylhepta-1,4-diene.
What is the SMILES notation for 3,4,6-trimethylhepta-1,4-diene?
The canonical SMILES for 3,4,6-trimethylhepta-1,4-diene is C=CC(C)C(C)=CC(C)C.
What is the InChIKey of 3,4,6-trimethylhepta-1,4-diene?
The InChIKey is DHUJQBNFQSODJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-6-9(4)10(5)7-8(2)3/h6-9H,1H2,2-5H3.
What are the key properties of 3,4,6-trimethylhepta-1,4-diene?
3,4,6-trimethylhepta-1,4-diene has a molecular weight of 138.25 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethylhepta-1,4-diene is sourced from PubChem (CID 123908234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).