(2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

C20H33ClO — CID 168749375

IUPAC(2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C(\Cl)CO
InChIInChI=1S/C20H33ClO/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(21)15-22/h9,11,13,22H,6-8,10,12,14-15H2,1-5H3/b17-11+,18-13+,20-19-
InChIKeyBOWVRCIPHIKAAT-HAQLZSGTSA-N
MW324.94 g/mol
LogP6.69
Rot. Bonds10

About (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

(2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol (PubChem CID 168749375) has the molecular formula C20H33ClO and a molecular weight of 324.94 g/mol. Its IUPAC name is (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol.

Molecular Properties

Compound Name(2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
PubChem CID168749375
Molecular FormulaC20H33ClO
Molecular Weight324.94 g/mol
Exact Mass324.22
IUPAC Name(2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C(\Cl)CO
InChIInChI=1S/C20H33ClO/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(21)15-22/h9,11,13,22H,6-8,10,12,14-15H2,1-5H3/b17-11+,18-13+,20-19-
InChIKeyBOWVRCIPHIKAAT-HAQLZSGTSA-N
XLogP6.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.94
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol with MolForge

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Related Compounds

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(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
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(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
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(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,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
5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
CID 54440908
(6E)-9-chloro-2,6-dimethylnona-2,6-diene
CID 101240427
(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene
CID 118038499
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859

Frequently Asked Questions

What is the IUPAC name of (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol?
The IUPAC name of (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol (CID 168749375) is (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol.
What is the SMILES notation for (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol?
The canonical SMILES for (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C(\Cl)CO.
What is the InChIKey of (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol?
The InChIKey is BOWVRCIPHIKAAT-HAQLZSGTSA-N. The full InChI is InChI=1S/C20H33ClO/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(21)15-22/h9,11,13,22H,6-8,10,12,14-15H2,1-5H3/b17-11+,18-13+,20-19-.
What are the key properties of (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol?
(2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol has a molecular weight of 324.94 g/mol, XLogP of 6.69, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol is sourced from PubChem (CID 168749375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).