17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one

C25H38O3 — CID 72811934

IUPAC17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one
SMILESCC(=CCCC(C)=CCC(O)c1ccoc1)CCC=C(C)CC(=O)CC(C)C
InChIInChI=1S/C25H38O3/c1-19(2)16-24(26)17-22(5)11-7-9-20(3)8-6-10-21(4)12-13-25(27)23-14-15-28-18-23/h8,11-12,14-15,18-19,25,27H,6-7,9-10,13,16-17H2,1-5H3
InChIKeyUZXKOVIRYVHQGU-UHFFFAOYSA-N
MW386.58 g/mol
LogP7.11
Rot. Bonds13

About 17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one

17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one (PubChem CID 72811934) has the molecular formula C25H38O3 and a molecular weight of 386.58 g/mol. Its IUPAC name is 17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one.

Molecular Properties

Compound Name17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one
PubChem CID72811934
Molecular FormulaC25H38O3
Molecular Weight386.58 g/mol
Exact Mass386.28
IUPAC Name17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one
SMILESCC(=CCCC(C)=CCC(O)c1ccoc1)CCC=C(C)CC(=O)CC(C)C
InChIInChI=1S/C25H38O3/c1-19(2)16-24(26)17-22(5)11-7-9-20(3)8-6-10-21(4)12-13-25(27)23-14-15-28-18-23/h8,11-12,14-15,18-19,25,27H,6-7,9-10,13,16-17H2,1-5H3
InChIKeyUZXKOVIRYVHQGU-UHFFFAOYSA-N
XLogP7.11
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one with MolForge

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Related Compounds

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CID 162884591
(6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione
CID 11280638
(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
CID 134942666
CID 134942666
3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan
CID 123833340
[(2S)-3-methylidenefuran-2-yl] (2E,6E)-3,7,11-trimethyl-9-oxododeca-2,6-dienoate
CID 162932600
ethyl 2-(furan-3-carbonyl)-5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenoate
CID 78104769
13-(furan-3-yl)-4-hydroxy-2,6,10-trimethyltrideca-2,6,10-trien-5-one
CID 162994880
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
CID 121132914
10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one
CID 162816980
3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
CID 5316534
3-(4,8,12,16-tetramethylhenicosa-3,7,11,15,19-pentaenyl)furan
CID 123177359

Frequently Asked Questions

What is the IUPAC name of 17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one?
The IUPAC name of 17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one (CID 72811934) is 17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one.
What is the SMILES notation for 17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one?
The canonical SMILES for 17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one is CC(=CCCC(C)=CCC(O)c1ccoc1)CCC=C(C)CC(=O)CC(C)C.
What is the InChIKey of 17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one?
The InChIKey is UZXKOVIRYVHQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O3/c1-19(2)16-24(26)17-22(5)11-7-9-20(3)8-6-10-21(4)12-13-25(27)23-14-15-28-18-23/h8,11-12,14-15,18-19,25,27H,6-7,9-10,13,16-17H2,1-5H3.
What are the key properties of 17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one?
17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one has a molecular weight of 386.58 g/mol, XLogP of 7.11, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one is sourced from PubChem (CID 72811934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).