(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene

C12H20 — CID 145336445

IUPAC(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
SMILESC=C/C(=C(\C=C)C(C)C)C(C)C
InChIInChI=1S/C12H20/c1-7-11(9(3)4)12(8-2)10(5)6/h7-10H,1-2H2,3-6H3/b12-11-
InChIKeyDSIFKASXCYYVEL-QXMHVHEDSA-N
MW164.29 g/mol
LogP3.97
Rot. Bonds4

About (3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene

(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene (PubChem CID 145336445) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
PubChem CID145336445
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
SMILESC=C/C(=C(\C=C)C(C)C)C(C)C
InChIInChI=1S/C12H20/c1-7-11(9(3)4)12(8-2)10(5)6/h7-10H,1-2H2,3-6H3/b12-11-
InChIKeyDSIFKASXCYYVEL-QXMHVHEDSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.97
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

4,5-difluoro-3-propan-2-ylhepta-1,3,5-triene
CID 123433916
4-methylpent-1-en-3-ylidenevanadium
CID 162282723
N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine
CID 126593521
(3E)-6-methyl-5-methylidene-3-propan-2-yl-N-prop-1-en-2-ylhepta-1,3-dien-4-amine
CID 144792182
(2Z,3E)-2-(1-aminoethylidene)-3-ethyl-4-propan-2-ylhexa-3,5-dienenitrile
CID 167254968
(3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene
CID 177485167
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene
CID 123469974
1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane
CID 123928843
3,3-difluoro-1-[(3E)-4-propan-2-ylhexa-1,3,5-trien-3-yl]pyrrolidine
CID 142482447
(3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol
CID 143420580
(3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene
CID 144667400

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene?
The IUPAC name of (3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene (CID 145336445) is (3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene.
What is the SMILES notation for (3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene?
The canonical SMILES for (3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene is C=C/C(=C(\C=C)C(C)C)C(C)C.
What is the InChIKey of (3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene?
The InChIKey is DSIFKASXCYYVEL-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H20/c1-7-11(9(3)4)12(8-2)10(5)6/h7-10H,1-2H2,3-6H3/b12-11-.
What are the key properties of (3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene?
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene has a molecular weight of 164.29 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene is sourced from PubChem (CID 145336445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).