(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol

C18H30O — CID 10890690

IUPAC(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
SMILESC=CC[C@@H](O)/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H30O/c1-6-9-18(19)14-17(5)13-8-12-16(4)11-7-10-15(2)3/h6,10,12,14,18-19H,1,7-9,11,13H2,2-5H3/b16-12+,17-14+/t18-/m1/s1
InChIKeyHGTACVRZXOJDCB-MKFKDMEFSA-N
MW262.44 g/mol
LogP5.34
Rot. Bonds9

About (4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol

(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol (PubChem CID 10890690) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is (4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol.

Molecular Properties

Compound Name(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
PubChem CID10890690
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
SMILESC=CC[C@@H](O)/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H30O/c1-6-9-18(19)14-17(5)13-8-12-16(4)11-7-10-15(2)3/h6,10,12,14,18-19H,1,7-9,11,13H2,2-5H3/b16-12+,17-14+/t18-/m1/s1
InChIKeyHGTACVRZXOJDCB-MKFKDMEFSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol with MolForge

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Related Compounds

(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
[(5E)-6,10-dimethylundeca-1,5,9-trien-4-yl]-trimethylsilane
CID 11172755
(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901
(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
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 54461369
3,7,11,15,19-pentamethyl-1-methylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
CID 54376862

Frequently Asked Questions

What is the IUPAC name of (4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol?
The IUPAC name of (4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol (CID 10890690) is (4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol.
What is the SMILES notation for (4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol?
The canonical SMILES for (4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol is C=CC[C@@H](O)/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol?
The InChIKey is HGTACVRZXOJDCB-MKFKDMEFSA-N. The full InChI is InChI=1S/C18H30O/c1-6-9-18(19)14-17(5)13-8-12-16(4)11-7-10-15(2)3/h6,10,12,14,18-19H,1,7-9,11,13H2,2-5H3/b16-12+,17-14+/t18-/m1/s1.
What are the key properties of (4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol?
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol has a molecular weight of 262.44 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol is sourced from PubChem (CID 10890690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).