6-methyldeca-1,5,8-triene

C11H18 — CID 150645087

IUPAC6-methyldeca-1,5,8-triene
SMILESC=CCCC=C(C)CC=CC
InChIInChI=1S/C11H18/c1-4-6-8-10-11(3)9-7-5-2/h4-5,7,10H,1,6,8-9H2,2-3H3
InChIKeyJASCEOBJQNQQQV-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.87
Rot. Bonds5

About 6-methyldeca-1,5,8-triene

6-methyldeca-1,5,8-triene (PubChem CID 150645087) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 6-methyldeca-1,5,8-triene.

Molecular Properties

Compound Name6-methyldeca-1,5,8-triene
PubChem CID150645087
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name6-methyldeca-1,5,8-triene
SMILESC=CCCC=C(C)CC=CC
InChIInChI=1S/C11H18/c1-4-6-8-10-11(3)9-7-5-2/h4-5,7,10H,1,6,8-9H2,2-3H3
InChIKeyJASCEOBJQNQQQV-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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

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CID 59970949
3-methylhepta-2,5-dien-1-ol
CID 167443292
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CID 102073218
10-methylundeca-1,5,9-triene
CID 71330376
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
(4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol
CID 132557737
(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene
CID 138968984
ethane;(5Z)-hepta-1,5-diene;hydrochloride
CID 143911102
5-methylhepta-1,5-diene
CID 54049787
3-methylocta-3,7-diene-1-sulfonic acid
CID 175278348
(2E,4E,6R,10E)-6,10-dimethylpentadeca-2,4,10,14-tetraen-6-ol
CID 101160594
methyl 4-methylnona-4,8-dienoate
CID 71333092

Frequently Asked Questions

What is the IUPAC name of 6-methyldeca-1,5,8-triene?
The IUPAC name of 6-methyldeca-1,5,8-triene (CID 150645087) is 6-methyldeca-1,5,8-triene.
What is the SMILES notation for 6-methyldeca-1,5,8-triene?
The canonical SMILES for 6-methyldeca-1,5,8-triene is C=CCCC=C(C)CC=CC.
What is the InChIKey of 6-methyldeca-1,5,8-triene?
The InChIKey is JASCEOBJQNQQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-4-6-8-10-11(3)9-7-5-2/h4-5,7,10H,1,6,8-9H2,2-3H3.
What are the key properties of 6-methyldeca-1,5,8-triene?
6-methyldeca-1,5,8-triene has a molecular weight of 150.26 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyldeca-1,5,8-triene is sourced from PubChem (CID 150645087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).