2,4,4-trimethyltrideca-1,6-diene

C16H30 — CID 173214463

IUPAC2,4,4-trimethyltrideca-1,6-diene
SMILESC=C(C)CC(C)(C)CC=CCCCCCC
InChIInChI=1S/C16H30/c1-6-7-8-9-10-11-12-13-16(4,5)14-15(2)3/h11-12H,2,6-10,13-14H2,1,3-5H3
InChIKeyWLKGEVZSZDEMMW-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.90
Rot. Bonds9

About 2,4,4-trimethyltrideca-1,6-diene

2,4,4-trimethyltrideca-1,6-diene (PubChem CID 173214463) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2,4,4-trimethyltrideca-1,6-diene.

Molecular Properties

Compound Name2,4,4-trimethyltrideca-1,6-diene
PubChem CID173214463
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name2,4,4-trimethyltrideca-1,6-diene
SMILESC=C(C)CC(C)(C)CC=CCCCCCC
InChIInChI=1S/C16H30/c1-6-7-8-9-10-11-12-13-16(4,5)14-15(2)3/h11-12H,2,6-10,13-14H2,1,3-5H3
InChIKeyWLKGEVZSZDEMMW-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.90
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)-3,3-dimethyltrideca-1,5-diene
CID 15646578
(Z)-heptacos-11-ene
CID 56936074
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(24Z)-hexatriaconta-9,24-diene
CID 173127472
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyltrideca-1,6-diene?
The IUPAC name of 2,4,4-trimethyltrideca-1,6-diene (CID 173214463) is 2,4,4-trimethyltrideca-1,6-diene.
What is the SMILES notation for 2,4,4-trimethyltrideca-1,6-diene?
The canonical SMILES for 2,4,4-trimethyltrideca-1,6-diene is C=C(C)CC(C)(C)CC=CCCCCCC.
What is the InChIKey of 2,4,4-trimethyltrideca-1,6-diene?
The InChIKey is WLKGEVZSZDEMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-6-7-8-9-10-11-12-13-16(4,5)14-15(2)3/h11-12H,2,6-10,13-14H2,1,3-5H3.
What are the key properties of 2,4,4-trimethyltrideca-1,6-diene?
2,4,4-trimethyltrideca-1,6-diene has a molecular weight of 222.42 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyltrideca-1,6-diene is sourced from PubChem (CID 173214463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).