1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one

C24H46O3 — CID 175351685

IUPAC1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one
SMILESCC(=CCCC(=O)C(O)CO)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C24H46O3/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-22(5)16-9-17-23(26)24(27)18-25/h16,19-21,24-25,27H,6-15,17-18H2,1-5H3
InChIKeyIQTZTNZMJKNWOC-UHFFFAOYSA-N
MW382.63 g/mol
LogP6.07
Rot. Bonds17

About 1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one

1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one (PubChem CID 175351685) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one.

Molecular Properties

Compound Name1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one
PubChem CID175351685
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one
SMILESCC(=CCCC(=O)C(O)CO)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C24H46O3/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-22(5)16-9-17-23(26)24(27)18-25/h16,19-21,24-25,27H,6-15,17-18H2,1-5H3
InChIKeyIQTZTNZMJKNWOC-UHFFFAOYSA-N
XLogP6.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181
(2S,3S,4R,5S)-2,3,4,5,6-pentahydroxy-11,15,19-trimethyl-7-oxoicos-10-enoic acid
CID 154116695
3,3-dihydroxy-8,12,16,20-tetramethylhenicos-7-en-4-one
CID 175386593
methyl (E,9R,13R)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840684
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
[(3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] (E)-5,9,13,17-tetramethyloctadec-4-enoate
CID 89051937
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
[(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840687
CID 160640482
CID 160640482
(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905048
(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905050
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one?
The IUPAC name of 1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one (CID 175351685) is 1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one.
What is the SMILES notation for 1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one?
The canonical SMILES for 1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one is CC(=CCCC(=O)C(O)CO)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one?
The InChIKey is IQTZTNZMJKNWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-22(5)16-9-17-23(26)24(27)18-25/h16,19-21,24-25,27H,6-15,17-18H2,1-5H3.
What are the key properties of 1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one?
1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one has a molecular weight of 382.63 g/mol, XLogP of 6.07, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one is sourced from PubChem (CID 175351685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).