(6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol

C21H38O — CID 126609123

IUPAC(6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(O)C(C)(C)C
InChIInChI=1S/C21H38O/c1-17(2)11-8-12-18(3)13-9-14-19(4)15-10-16-20(22)21(5,6)7/h11,13,15,20,22H,8-10,12,14,16H2,1-7H3/b18-13+,19-15+
InChIKeySFKBYINHXHZPDD-HQSZAHFGSA-N
MW306.53 g/mol
LogP6.59
Rot. Bonds9

About (6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol

(6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol (PubChem CID 126609123) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is (6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol.

Molecular Properties

Compound Name(6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol
PubChem CID126609123
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name(6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(O)C(C)(C)C
InChIInChI=1S/C21H38O/c1-17(2)11-8-12-18(3)13-9-14-19(4)15-10-16-20(22)21(5,6)7/h11,13,15,20,22H,8-10,12,14,16H2,1-7H3/b18-13+,19-15+
InChIKeySFKBYINHXHZPDD-HQSZAHFGSA-N
XLogP6.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol with MolForge

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Related Compounds

(6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol
CID 10456150
(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
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
CID 163844448

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol?
The IUPAC name of (6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol (CID 126609123) is (6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol.
What is the SMILES notation for (6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol?
The canonical SMILES for (6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(O)C(C)(C)C.
What is the InChIKey of (6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol?
The InChIKey is SFKBYINHXHZPDD-HQSZAHFGSA-N. The full InChI is InChI=1S/C21H38O/c1-17(2)11-8-12-18(3)13-9-14-19(4)15-10-16-20(22)21(5,6)7/h11,13,15,20,22H,8-10,12,14,16H2,1-7H3/b18-13+,19-15+.
What are the key properties of (6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol?
(6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol has a molecular weight of 306.53 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol is sourced from PubChem (CID 126609123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).