(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene

C13H22 — CID 164881280

IUPAC(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene
SMILESC=C(C)/C=C(CC(C)C)\C(C)=C/C
InChIInChI=1S/C13H22/c1-7-12(6)13(8-10(2)3)9-11(4)5/h7-8,11H,2,9H2,1,3-6H3/b12-7-,13-8-
InChIKeyXYESAPYYBCTLPK-AJDRMPRJSA-N
MW178.32 g/mol
LogP4.50
Rot. Bonds4

About (3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene

(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene (PubChem CID 164881280) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene
PubChem CID164881280
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene
SMILESC=C(C)/C=C(CC(C)C)\C(C)=C/C
InChIInChI=1S/C13H22/c1-7-12(6)13(8-10(2)3)9-11(4)5/h7-8,11H,2,9H2,1,3-6H3/b12-7-,13-8-
InChIKeyXYESAPYYBCTLPK-AJDRMPRJSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.50
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

ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
CID 144632740
(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene
CID 143472729
4-ethylidene-2,6-dimethylheptane
CID 102206987
(1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine
CID 118903083
2,4-dimethylpent-1-ene;ethane
CID 143336990
ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene
CID 144627723
(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
CID 145319399
(2Z)-2-ethylidene-4-methylpentanamide
CID 55290793
4-methyl-2-methylidenepentan-1-amine
CID 55284045
(2E)-2,4-dimethylpenta-2,4-dien-1-amine
CID 126656213
(3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene
CID 143383124
2,3,4,6-tetramethylhepta-1,3-diene
CID 90973069

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene (CID 164881280) is (3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene is C=C(C)/C=C(CC(C)C)\C(C)=C/C.
What is the InChIKey of (3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene?
The InChIKey is XYESAPYYBCTLPK-AJDRMPRJSA-N. The full InChI is InChI=1S/C13H22/c1-7-12(6)13(8-10(2)3)9-11(4)5/h7-8,11H,2,9H2,1,3-6H3/b12-7-,13-8-.
What are the key properties of (3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene?
(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene has a molecular weight of 178.32 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene is sourced from PubChem (CID 164881280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).