(2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol

C20H34O — CID 101376573

IUPAC(2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol
SMILES[3H]C(O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+/i16T
InChIKeyOJISWRZIEWCUBN-GXWQKYCFSA-N
MW292.50 g/mol
LogP6.12
Rot. Bonds10

About (2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol

(2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol (PubChem CID 101376573) has the molecular formula C20H34O and a molecular weight of 292.50 g/mol. Its IUPAC name is (2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol.

Molecular Properties

Compound Name(2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol
PubChem CID101376573
Molecular FormulaC20H34O
Molecular Weight292.50 g/mol
Exact Mass292.27
IUPAC Name(2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol
SMILES[3H]C(O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+/i16T
InChIKeyOJISWRZIEWCUBN-GXWQKYCFSA-N
XLogP6.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.50
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-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
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
CID 72726260
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol?
The IUPAC name of (2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol (CID 101376573) is (2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol.
What is the SMILES notation for (2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol?
The canonical SMILES for (2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol is [3H]C(O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol?
The InChIKey is OJISWRZIEWCUBN-GXWQKYCFSA-N. The full InChI is InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+/i16T.
What are the key properties of (2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol?
(2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol has a molecular weight of 292.50 g/mol, XLogP of 6.12, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol is sourced from PubChem (CID 101376573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).