(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene

C16H27Cl — CID 118038499

IUPAC(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene
SMILESCC(C)=CCCC(C)=CCC/C(C)=C/CCCl
InChIInChI=1S/C16H27Cl/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17/h8,10,12H,5-7,9,11,13H2,1-4H3/b15-10?,16-12+
InChIKeyNIKQMBWKCULQQE-SKJKBLLGSA-N
MW254.84 g/mol
LogP6.03
Rot. Bonds8

About (10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene

(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene (PubChem CID 118038499) has the molecular formula C16H27Cl and a molecular weight of 254.84 g/mol. Its IUPAC name is (10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene.

Molecular Properties

Compound Name(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene
PubChem CID118038499
Molecular FormulaC16H27Cl
Molecular Weight254.84 g/mol
Exact Mass254.18
IUPAC Name(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene
SMILESCC(C)=CCCC(C)=CCC/C(C)=C/CCCl
InChIInChI=1S/C16H27Cl/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17/h8,10,12H,5-7,9,11,13H2,1-4H3/b15-10?,16-12+
InChIKeyNIKQMBWKCULQQE-SKJKBLLGSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.84
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6E)-9-chloro-2,6-dimethylnona-2,6-diene
CID 101240427
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
CID 176889443
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(2E)-1-chloro-1-deuterio-3,7-dimethylocta-2,6-diene
CID 10535222
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438

Frequently Asked Questions

What is the IUPAC name of (10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene?
The IUPAC name of (10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene (CID 118038499) is (10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene.
What is the SMILES notation for (10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene?
The canonical SMILES for (10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene is CC(C)=CCCC(C)=CCC/C(C)=C/CCCl.
What is the InChIKey of (10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene?
The InChIKey is NIKQMBWKCULQQE-SKJKBLLGSA-N. The full InChI is InChI=1S/C16H27Cl/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17/h8,10,12H,5-7,9,11,13H2,1-4H3/b15-10?,16-12+.
What are the key properties of (10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene?
(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene has a molecular weight of 254.84 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene is sourced from PubChem (CID 118038499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).