2-methyldeca-1,5,9-triene

C11H18 — CID 163214311

IUPAC2-methyldeca-1,5,9-triene
SMILESC=CCCC=CCCC(=C)C
InChIInChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h4,7-8H,1-2,5-6,9-10H2,3H3
InChIKeyLULCYSOEQHCJFA-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.87
Rot. Bonds6

About 2-methyldeca-1,5,9-triene

2-methyldeca-1,5,9-triene (PubChem CID 163214311) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-methyldeca-1,5,9-triene.

Molecular Properties

Compound Name2-methyldeca-1,5,9-triene
PubChem CID163214311
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-methyldeca-1,5,9-triene
SMILESC=CCCC=CCCC(=C)C
InChIInChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h4,7-8H,1-2,5-6,9-10H2,3H3
InChIKeyLULCYSOEQHCJFA-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.87
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

ethane;2-methylhexa-1,5-diene;molecular hydrogen
CID 144513072
(2E)-6-methylhepta-2,6-dien-1-ol
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(2Z)-6-methylhepta-2,6-dien-1-ol
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(5E)-deca-1,5,9-triene
CID 5362636
ethane;(5E)-2-methylhepta-1,5-diene
CID 143084582
10-methylundeca-1,5,9-triene
CID 71330376
2-methylundeca-1,3,6,10-tetraene
CID 123646440
8-methylnona-1,5-diene;2-methylprop-1-ene
CID 173298827
methyl (4Z,8E)-trideca-4,8,12-trienoate
CID 5322113
(5Z)-2,8,9-trimethyldeca-1,5-diene
CID 142222870
6-methylhepta-2,6-dienal
CID 54465037
(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene
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Frequently Asked Questions

What is the IUPAC name of 2-methyldeca-1,5,9-triene?
The IUPAC name of 2-methyldeca-1,5,9-triene (CID 163214311) is 2-methyldeca-1,5,9-triene.
What is the SMILES notation for 2-methyldeca-1,5,9-triene?
The canonical SMILES for 2-methyldeca-1,5,9-triene is C=CCCC=CCCC(=C)C.
What is the InChIKey of 2-methyldeca-1,5,9-triene?
The InChIKey is LULCYSOEQHCJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h4,7-8H,1-2,5-6,9-10H2,3H3.
What are the key properties of 2-methyldeca-1,5,9-triene?
2-methyldeca-1,5,9-triene has a molecular weight of 150.26 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldeca-1,5,9-triene is sourced from PubChem (CID 163214311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).