2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane

C15H32 — CID 143986443

IUPAC2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane
SMILESCC.CC.CC(C)=CC(=C(C)C)C(C)C
InChIInChI=1S/C11H20.2C2H6/c1-8(2)7-11(9(3)4)10(5)6;2*1-2/h7,9H,1-6H3;2*1-2H3
InChIKeyCGVJEXYCUOYUJD-UHFFFAOYSA-N
MW212.42 g/mol
LogP6.00
Rot. Bonds2

About 2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane

2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane (PubChem CID 143986443) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane.

Molecular Properties

Compound Name2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane
PubChem CID143986443
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane
SMILESCC.CC.CC(C)=CC(=C(C)C)C(C)C
InChIInChI=1S/C11H20.2C2H6/c1-8(2)7-11(9(3)4)10(5)6;2*1-2/h7,9H,1-6H3;2*1-2H3
InChIKeyCGVJEXYCUOYUJD-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 56.00
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

(3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol
CID 5363138
(3Z)-2,6-dimethyl-5-propan-2-ylhepta-1,3,5-triene;methane
CID 143550597
(2E,4Z,6E)-N-ethyl-N,2,6,9-tetramethyl-8-propan-2-yldeca-2,4,6,8-tetraen-1-amine
CID 170099965
2,4-dimethyl-N,N-di(propan-2-yl)pent-2-en-3-amine;methane
CID 159210280
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
(2E,4E)-5-methyl-3-propan-2-ylhepta-2,4-dien-2-ol
CID 143347257
2,6-dimethyl-5-propan-2-ylhept-2-en-4-one
CID 174864844
alumane;2-methylbut-2-ene
CID 174293100
2,3,4-trimethylpent-2-ene
CID 11270
(4Z)-2,3,5,7-tetramethylocta-2,4,6-triene
CID 142272318

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane?
The IUPAC name of 2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane (CID 143986443) is 2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane.
What is the SMILES notation for 2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane?
The canonical SMILES for 2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane is CC.CC.CC(C)=CC(=C(C)C)C(C)C.
What is the InChIKey of 2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane?
The InChIKey is CGVJEXYCUOYUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.2C2H6/c1-8(2)7-11(9(3)4)10(5)6;2*1-2/h7,9H,1-6H3;2*1-2H3.
What are the key properties of 2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane?
2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane has a molecular weight of 212.42 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-propan-2-ylhexa-2,4-diene;ethane is sourced from PubChem (CID 143986443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).