2,14-dimethylpentadeca-1,14-diene

C17H32 — CID 123962057

IUPAC2,14-dimethylpentadeca-1,14-diene
SMILESC=C(C)CCCCCCCCCCCC(=C)C
InChIInChI=1S/C17H32/c1-16(2)14-12-10-8-6-5-7-9-11-13-15-17(3)4/h1,3,5-15H2,2,4H3
InChIKeyDPRONTDBAKBRDQ-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.43
Rot. Bonds12

About 2,14-dimethylpentadeca-1,14-diene

2,14-dimethylpentadeca-1,14-diene (PubChem CID 123962057) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 2,14-dimethylpentadeca-1,14-diene.

Molecular Properties

Compound Name2,14-dimethylpentadeca-1,14-diene
PubChem CID123962057
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name2,14-dimethylpentadeca-1,14-diene
SMILESC=C(C)CCCCCCCCCCCC(=C)C
InChIInChI=1S/C17H32/c1-16(2)14-12-10-8-6-5-7-9-11-13-15-17(3)4/h1,3,5-15H2,2,4H3
InChIKeyDPRONTDBAKBRDQ-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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5-methylhex-5-en-1-ol
CID 10820498
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CID 177190898
18-methylnonadec-18-enoic acid
CID 123841309
ethane;2-methylhept-1-ene
CID 143682307
2-methylhex-1-ene
CID 158402499
8-methylnon-8-en-2-imine
CID 163908836

Frequently Asked Questions

What is the IUPAC name of 2,14-dimethylpentadeca-1,14-diene?
The IUPAC name of 2,14-dimethylpentadeca-1,14-diene (CID 123962057) is 2,14-dimethylpentadeca-1,14-diene.
What is the SMILES notation for 2,14-dimethylpentadeca-1,14-diene?
The canonical SMILES for 2,14-dimethylpentadeca-1,14-diene is C=C(C)CCCCCCCCCCCC(=C)C.
What is the InChIKey of 2,14-dimethylpentadeca-1,14-diene?
The InChIKey is DPRONTDBAKBRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-16(2)14-12-10-8-6-5-7-9-11-13-15-17(3)4/h1,3,5-15H2,2,4H3.
What are the key properties of 2,14-dimethylpentadeca-1,14-diene?
2,14-dimethylpentadeca-1,14-diene has a molecular weight of 236.44 g/mol, XLogP of 6.43, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-dimethylpentadeca-1,14-diene is sourced from PubChem (CID 123962057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).