(3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene

C12H20 — CID 143832543

IUPAC(3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene
SMILESC=C/C(C)=C(C(\C)=C/C)/C(C)C
InChIInChI=1S/C12H20/c1-7-10(5)12(9(3)4)11(6)8-2/h7-9H,1H2,2-6H3/b11-8-,12-10-
InChIKeyQOEQWFAZBFHLAA-VALOQDKRSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds3

About (3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene

(3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene (PubChem CID 143832543) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene
PubChem CID143832543
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene
SMILESC=C/C(C)=C(C(\C)=C/C)/C(C)C
InChIInChI=1S/C12H20/c1-7-10(5)12(9(3)4)11(6)8-2/h7-9H,1H2,2-6H3/b11-8-,12-10-
InChIKeyQOEQWFAZBFHLAA-VALOQDKRSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
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

(3Z,5E)-3,4,6,7-tetramethylocta-1,3,5-triene
CID 178040124
3,4-dimethylpenta-1,3-diene
CID 6713443
(3E)-3-methyl-4-(trifluoromethoxy)penta-1,3-diene
CID 143902904
(3E)-2,4-difluoro-3-propan-2-ylhexa-1,3,5-triene
CID 145074832
O-[(2Z)-3-methylpenta-2,4-dien-2-yl]hydroxylamine
CID 89307722
(3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene
CID 142173895
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259
(3E)-N,N,4-trimethyl-3-propan-2-ylhexa-3,5-dien-2-amine
CID 166854160
(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
CID 145319399
1,1-dimethoxy-2-methylbuta-1,3-diene
CID 11116083
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene (CID 143832543) is (3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene is C=C/C(C)=C(C(\C)=C/C)/C(C)C.
What is the InChIKey of (3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene?
The InChIKey is QOEQWFAZBFHLAA-VALOQDKRSA-N. The full InChI is InChI=1S/C12H20/c1-7-10(5)12(9(3)4)11(6)8-2/h7-9H,1H2,2-6H3/b11-8-,12-10-.
What are the key properties of (3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene?
(3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 143832543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).