(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene

C10H18 — CID 157171896

IUPAC(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
SMILESC/C=C(C)\C(C)=C(\C)CC
InChIInChI=1S/C10H18/c1-6-8(3)10(5)9(4)7-2/h6H,7H2,1-5H3/b8-6-,10-9-
InChIKeyDDVAZJYPRNAQDD-VAOAJWRNSA-N
MW138.25 g/mol
LogP3.70
Rot. Bonds2

About (2Z,4Z)-3,4,5-trimethylhepta-2,4-diene

(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene (PubChem CID 157171896) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (2Z,4Z)-3,4,5-trimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
PubChem CID157171896
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
SMILESC/C=C(C)\C(C)=C(\C)CC
InChIInChI=1S/C10H18/c1-6-8(3)10(5)9(4)7-2/h6H,7H2,1-5H3/b8-6-,10-9-
InChIKeyDDVAZJYPRNAQDD-VAOAJWRNSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.70
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

3,4,5-trimethylocta-2,4-diene
CID 54130832
(2E,4Z)-5-chloro-3,4-dimethylhepta-2,4-diene
CID 5466616
methane;(2E,4Z,6E)-3,4,5,6-tetramethylocta-2,4,6-triene
CID 144531005
(3E,4Z)-3-ethylidene-4,5-dimethylhepta-1,4-dien-2-ol
CID 126639403
2,3,4,5,6-pentamethylocta-2,4,6-triene
CID 59782678
ethane;2-methylbuta-1,3-diene;(3Z)-2,3,4-trimethylhexa-1,3-diene
CID 145156103
N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide
CID 169233630
(Z)-N,4-dimethylhex-4-en-3-imine
CID 176566678
2,3-dimethylpent-2-ene;propane
CID 162031516
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
azane;2,3-dimethylpent-2-ene
CID 87285665
(E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide
CID 142959993

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3,4,5-trimethylhepta-2,4-diene?
The IUPAC name of (2Z,4Z)-3,4,5-trimethylhepta-2,4-diene (CID 157171896) is (2Z,4Z)-3,4,5-trimethylhepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-3,4,5-trimethylhepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-3,4,5-trimethylhepta-2,4-diene is C/C=C(C)\C(C)=C(\C)CC.
What is the InChIKey of (2Z,4Z)-3,4,5-trimethylhepta-2,4-diene?
The InChIKey is DDVAZJYPRNAQDD-VAOAJWRNSA-N. The full InChI is InChI=1S/C10H18/c1-6-8(3)10(5)9(4)7-2/h6H,7H2,1-5H3/b8-6-,10-9-.
What are the key properties of (2Z,4Z)-3,4,5-trimethylhepta-2,4-diene?
(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene has a molecular weight of 138.25 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3,4,5-trimethylhepta-2,4-diene is sourced from PubChem (CID 157171896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).