3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)

C17H32 — CID 160814683

IUPAC3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
SMILESC=CC(=C)C.C=CC(=C)C.CCC(C)(C)CC
InChIInChI=1S/C7H16.2C5H8/c1-5-7(3,4)6-2;2*1-4-5(2)3/h5-6H2,1-4H3;2*4H,1-2H2,3H3
InChIKeySETDFUVWIYXADV-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.33
Rot. Bonds4

About 3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)

3,3-dimethylpentane;bis(2-methylbuta-1,3-diene) (PubChem CID 160814683) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 3,3-dimethylpentane;bis(2-methylbuta-1,3-diene).

Molecular Properties

Compound Name3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
PubChem CID160814683
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
SMILESC=CC(=C)C.C=CC(=C)C.CCC(C)(C)CC
InChIInChI=1S/C7H16.2C5H8/c1-5-7(3,4)6-2;2*1-4-5(2)3/h5-6H2,1-4H3;2*4H,1-2H2,3H3
InChIKeySETDFUVWIYXADV-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.33
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

2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
3,3-dimethylpentane;ethane;methanol
CID 144527462
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
formonitrile;2-methylbuta-1,3-diene
CID 159945395
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)?
The IUPAC name of 3,3-dimethylpentane;bis(2-methylbuta-1,3-diene) (CID 160814683) is 3,3-dimethylpentane;bis(2-methylbuta-1,3-diene).
What is the SMILES notation for 3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)?
The canonical SMILES for 3,3-dimethylpentane;bis(2-methylbuta-1,3-diene) is C=CC(=C)C.C=CC(=C)C.CCC(C)(C)CC.
What is the InChIKey of 3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)?
The InChIKey is SETDFUVWIYXADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.2C5H8/c1-5-7(3,4)6-2;2*1-4-5(2)3/h5-6H2,1-4H3;2*4H,1-2H2,3H3.
What are the key properties of 3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)?
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene) has a molecular weight of 236.44 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentane;bis(2-methylbuta-1,3-diene) is sourced from PubChem (CID 160814683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).