2-methylhexadeca-3,5-diene

C17H32 — CID 140995829

IUPAC2-methylhexadeca-3,5-diene
SMILESCCCCCCCCCCC=CC=CC(C)C
InChIInChI=1S/C17H32/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h13-17H,4-12H2,1-3H3
InChIKeyDLKOFXARFXFUAS-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.29
Rot. Bonds11

About 2-methylhexadeca-3,5-diene

2-methylhexadeca-3,5-diene (PubChem CID 140995829) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 2-methylhexadeca-3,5-diene.

Molecular Properties

Compound Name2-methylhexadeca-3,5-diene
PubChem CID140995829
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name2-methylhexadeca-3,5-diene
SMILESCCCCCCCCCCC=CC=CC(C)C
InChIInChI=1S/C17H32/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h13-17H,4-12H2,1-3H3
InChIKeyDLKOFXARFXFUAS-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-dodeca-3,5-dien-2-amine
CID 14864066
dodeca-3,5-dien-2-amine
CID 72740287
(22E)-heptatetraconta-22,24-diene
CID 56629131
(3Z,5E)-12-chloro-2-methyldodeca-3,5-diene
CID 171485746
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(Z)-2-methyloct-3-ene;octane
CID 159051061
henicosa-2,4,6,8,10-pentaene-1,1-diol
CID 141316228
(6E)-octadeca-4,6-diene
CID 173243345
tetradeca-1,3-dien-1-ol
CID 73437176
(1Z,3Z)-undeca-1,3-dien-1-ol
CID 86738537
(1E)-octadeca-1,3,5-trien-1-ol
CID 175012248

Frequently Asked Questions

What is the IUPAC name of 2-methylhexadeca-3,5-diene?
The IUPAC name of 2-methylhexadeca-3,5-diene (CID 140995829) is 2-methylhexadeca-3,5-diene.
What is the SMILES notation for 2-methylhexadeca-3,5-diene?
The canonical SMILES for 2-methylhexadeca-3,5-diene is CCCCCCCCCCC=CC=CC(C)C.
What is the InChIKey of 2-methylhexadeca-3,5-diene?
The InChIKey is DLKOFXARFXFUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h13-17H,4-12H2,1-3H3.
What are the key properties of 2-methylhexadeca-3,5-diene?
2-methylhexadeca-3,5-diene has a molecular weight of 236.44 g/mol, XLogP of 6.29, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexadeca-3,5-diene is sourced from PubChem (CID 140995829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).