6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene

C18H28 — CID 123903824

IUPAC6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene
SMILESC=CC(=CCC)CCC=C(C=C)CCC=C(C)C
InChIInChI=1S/C18H28/c1-6-11-17(7-2)14-10-15-18(8-3)13-9-12-16(4)5/h7-8,11-12,15H,2-3,6,9-10,13-14H2,1,4-5H3
InChIKeyILHCNKGHKZXYLP-UHFFFAOYSA-N
MW244.42 g/mol
LogP6.15
Rot. Bonds9

About 6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene

6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene (PubChem CID 123903824) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene.

Molecular Properties

Compound Name6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene
PubChem CID123903824
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene
SMILESC=CC(=CCC)CCC=C(C=C)CCC=C(C)C
InChIInChI=1S/C18H28/c1-6-11-17(7-2)14-10-15-18(8-3)13-9-12-16(4)5/h7-8,11-12,15H,2-3,6,9-10,13-14H2,1,4-5H3
InChIKeyILHCNKGHKZXYLP-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
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CID 173118544
bis(but-1-ene);tetrakis(2-methylpent-2-ene)
CID 158752842
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
5-ethenylocta-1,5-dienylbenzene
CID 91256649
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
(3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
CID 14753114
(Z)-4-ethenyl-N-methylhept-3-en-1-amine
CID 130333267
ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene
CID 143290103
2-bromo-6-methylhepta-1,5-diene
CID 12000295
(4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene
CID 101195298
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227

Frequently Asked Questions

What is the IUPAC name of 6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene?
The IUPAC name of 6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene (CID 123903824) is 6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene.
What is the SMILES notation for 6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene?
The canonical SMILES for 6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene is C=CC(=CCC)CCC=C(C=C)CCC=C(C)C.
What is the InChIKey of 6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene?
The InChIKey is ILHCNKGHKZXYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-6-11-17(7-2)14-10-15-18(8-3)13-9-12-16(4)5/h7-8,11-12,15H,2-3,6,9-10,13-14H2,1,4-5H3.
What are the key properties of 6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene?
6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene has a molecular weight of 244.42 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene is sourced from PubChem (CID 123903824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).