2,8-dimethyldodeca-1,8-diene

C14H26 — CID 91581739

IUPAC2,8-dimethyldodeca-1,8-diene
SMILESC=C(C)CCCCCC(C)=CCCC
InChIInChI=1S/C14H26/c1-5-6-11-14(4)12-9-7-8-10-13(2)3/h11H,2,5-10,12H2,1,3-4H3
InChIKeyKKMHDRCYYQMDDQ-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.26
Rot. Bonds8

About 2,8-dimethyldodeca-1,8-diene

2,8-dimethyldodeca-1,8-diene (PubChem CID 91581739) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2,8-dimethyldodeca-1,8-diene.

Molecular Properties

Compound Name2,8-dimethyldodeca-1,8-diene
PubChem CID91581739
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2,8-dimethyldodeca-1,8-diene
SMILESC=C(C)CCCCCC(C)=CCCC
InChIInChI=1S/C14H26/c1-5-6-11-14(4)12-9-7-8-10-13(2)3/h11H,2,5-10,12H2,1,3-4H3
InChIKeyKKMHDRCYYQMDDQ-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.26
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

(6E)-2,6-dimethyldeca-2,6-diene;2-methylhex-1-ene;2-methylhex-2-ene
CID 162079708
(5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene
CID 145317472
(6E)-2,7-dimethyldeca-1,6-diene
CID 173073155
(E)-9-methylnonadec-9-ene
CID 14783585
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
2-methyltetradec-1-ene
CID 521375
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
2,14-dimethylpentadeca-1,14-diene
CID 123962057
(4E)-5,9-dimethyldeca-4,9-dienal
CID 6437671

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyldodeca-1,8-diene?
The IUPAC name of 2,8-dimethyldodeca-1,8-diene (CID 91581739) is 2,8-dimethyldodeca-1,8-diene.
What is the SMILES notation for 2,8-dimethyldodeca-1,8-diene?
The canonical SMILES for 2,8-dimethyldodeca-1,8-diene is C=C(C)CCCCCC(C)=CCCC.
What is the InChIKey of 2,8-dimethyldodeca-1,8-diene?
The InChIKey is KKMHDRCYYQMDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-5-6-11-14(4)12-9-7-8-10-13(2)3/h11H,2,5-10,12H2,1,3-4H3.
What are the key properties of 2,8-dimethyldodeca-1,8-diene?
2,8-dimethyldodeca-1,8-diene has a molecular weight of 194.36 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyldodeca-1,8-diene is sourced from PubChem (CID 91581739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).