5,9-dimethyldeca-1,8-diene

C12H22 — CID 12578605

IUPAC5,9-dimethyldeca-1,8-diene
SMILESC=CCCC(C)CCC=C(C)C
InChIInChI=1S/C12H22/c1-5-6-9-12(4)10-7-8-11(2)3/h5,8,12H,1,6-7,9-10H2,2-4H3
InChIKeyVRSZVRSDLZFVKJ-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds6

About 5,9-dimethyldeca-1,8-diene

5,9-dimethyldeca-1,8-diene (PubChem CID 12578605) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 5,9-dimethyldeca-1,8-diene.

Molecular Properties

Compound Name5,9-dimethyldeca-1,8-diene
PubChem CID12578605
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name5,9-dimethyldeca-1,8-diene
SMILESC=CCCC(C)CCC=C(C)C
InChIInChI=1S/C12H22/c1-5-6-9-12(4)10-7-8-11(2)3/h5,8,12H,1,6-7,9-10H2,2-4H3
InChIKeyVRSZVRSDLZFVKJ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
CID 173125400
CID 173125400
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
(6S)-6,10-dimethylundeca-1,9-dien-4-ol
CID 11030747
6,10-dimethylundeca-1,9-dien-4-ol
CID 11019804
2,6,10-trimethylundec-2-ene
CID 14805750
(5R)-5,9-dimethyldeca-1,8-dien-3-ol
CID 10986927
(4S,6S)-6,10-dimethylundeca-1,9-dien-4-amine
CID 11954735
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
(6S)-2,6-dimethyl-8-methylselanyloct-2-ene
CID 101158479
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine
CID 138519610

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyldeca-1,8-diene?
The IUPAC name of 5,9-dimethyldeca-1,8-diene (CID 12578605) is 5,9-dimethyldeca-1,8-diene.
What is the SMILES notation for 5,9-dimethyldeca-1,8-diene?
The canonical SMILES for 5,9-dimethyldeca-1,8-diene is C=CCCC(C)CCC=C(C)C.
What is the InChIKey of 5,9-dimethyldeca-1,8-diene?
The InChIKey is VRSZVRSDLZFVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-6-9-12(4)10-7-8-11(2)3/h5,8,12H,1,6-7,9-10H2,2-4H3.
What are the key properties of 5,9-dimethyldeca-1,8-diene?
5,9-dimethyldeca-1,8-diene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyldeca-1,8-diene is sourced from PubChem (CID 12578605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).