10-methylundeca-1,5,9-triene

C12H20 — CID 71330376

IUPAC10-methylundeca-1,5,9-triene
SMILESC=CCCC=CCCC=C(C)C
InChIInChI=1S/C12H20/c1-4-5-6-7-8-9-10-11-12(2)3/h4,7-8,11H,1,5-6,9-10H2,2-3H3
InChIKeyOMPZABHFUOCZJO-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds6

About 10-methylundeca-1,5,9-triene

10-methylundeca-1,5,9-triene (PubChem CID 71330376) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 10-methylundeca-1,5,9-triene.

Molecular Properties

Compound Name10-methylundeca-1,5,9-triene
PubChem CID71330376
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name10-methylundeca-1,5,9-triene
SMILESC=CCCC=CCCC=C(C)C
InChIInChI=1S/C12H20/c1-4-5-6-7-8-9-10-11-12(2)3/h4,7-8,11H,1,5-6,9-10H2,2-3H3
InChIKeyOMPZABHFUOCZJO-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
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

(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene
CID 138968984
(3E)-8-methylnona-1,3,7-triene
CID 16752433
(5E)-deca-1,5,9-triene
CID 5362636
(6E,10Z,14E,18Z)-2,10,23-trimethyltetracosa-2,6,10,14,18,22-hexaene
CID 5326453
(4Z)-9-methyldeca-4,8-dien-1-ol
CID 11116454
2-methyldeca-1,5,9-triene
CID 163214311
9-methyldeca-4,8-dien-1-ol
CID 71361046
2-methylundeca-1,3,6,10-tetraene
CID 123646440
(4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol
CID 24977374
2,10-dimethyldodeca-2,6,10-triene
CID 123930349
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
(5E)-nona-1,5-diene
CID 6429608

Frequently Asked Questions

What is the IUPAC name of 10-methylundeca-1,5,9-triene?
The IUPAC name of 10-methylundeca-1,5,9-triene (CID 71330376) is 10-methylundeca-1,5,9-triene.
What is the SMILES notation for 10-methylundeca-1,5,9-triene?
The canonical SMILES for 10-methylundeca-1,5,9-triene is C=CCCC=CCCC=C(C)C.
What is the InChIKey of 10-methylundeca-1,5,9-triene?
The InChIKey is OMPZABHFUOCZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-5-6-7-8-9-10-11-12(2)3/h4,7-8,11H,1,5-6,9-10H2,2-3H3.
What are the key properties of 10-methylundeca-1,5,9-triene?
10-methylundeca-1,5,9-triene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundeca-1,5,9-triene is sourced from PubChem (CID 71330376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).