3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one

C16H24O3 — CID 162977222

IUPAC3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one
SMILESC=C(C)[C@@H](C)C[C@@H](O)/C(C)=C/CCC1=CC(=O)OC1
InChIInChI=1S/C16H24O3/c1-11(2)13(4)8-15(17)12(3)6-5-7-14-9-16(18)19-10-14/h6,9,13,15,17H,1,5,7-8,10H2,2-4H3/b12-6+/t13-,15+/m0/s1
InChIKeyPRBBTMOZJSVGSU-VJMJHCGCSA-N
MW264.36 g/mol
LogP3.16
Rot. Bonds7

About 3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one

3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one (PubChem CID 162977222) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one
PubChem CID162977222
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one
SMILESC=C(C)[C@@H](C)C[C@@H](O)/C(C)=C/CCC1=CC(=O)OC1
InChIInChI=1S/C16H24O3/c1-11(2)13(4)8-15(17)12(3)6-5-7-14-9-16(18)19-10-14/h6,9,13,15,17H,1,5,7-8,10H2,2-4H3/b12-6+/t13-,15+/m0/s1
InChIKeyPRBBTMOZJSVGSU-VJMJHCGCSA-N
XLogP3.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one with MolForge

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Related Compounds

(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one
CID 6440973
methyl (2Z)-2-[(5R)-3,5-diethyl-5-[(E,2R,5S)-2-ethyl-5-hydroxyhex-3-enyl]furan-2-ylidene]acetate
CID 66575622
Macrolactin U
CID 25188765
CID 6444600
CID 6444600
7alpha,8beta-Dihydroxydeepoxysarcophine
CID 10806655
[(1R,2E,6E,8R,10S,11E,13S)-8,13-dihydroxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,6,11-trien-1-yl] acetate
CID 15674659
(6Z)-neomanoalide
CID 10001183
(2S)-2-(7-hydroxy-6-methyloctyl)-2H-uran-5-one
CID 10633021
Sarcophytonolide G
CID 11551473
Sarcophytonolide F
CID 11652644
[(2Z,6S,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundec-9-enyl] acetate
CID 16681370
3-[(1R,3E,7E)-1-hydroxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,7-dienyl]-2H-furan-5-one
CID 72189182

Frequently Asked Questions

What is the IUPAC name of 3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one?
The IUPAC name of 3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one (CID 162977222) is 3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one.
What is the SMILES notation for 3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one?
The canonical SMILES for 3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one is C=C(C)[C@@H](C)C[C@@H](O)/C(C)=C/CCC1=CC(=O)OC1.
What is the InChIKey of 3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one?
The InChIKey is PRBBTMOZJSVGSU-VJMJHCGCSA-N. The full InChI is InChI=1S/C16H24O3/c1-11(2)13(4)8-15(17)12(3)6-5-7-14-9-16(18)19-10-14/h6,9,13,15,17H,1,5,7-8,10H2,2-4H3/b12-6+/t13-,15+/m0/s1.
What are the key properties of 3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one?
3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one has a molecular weight of 264.36 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,5R,7S)-5-hydroxy-4,7,8-trimethylnona-3,8-dienyl]-2H-furan-5-one is sourced from PubChem (CID 162977222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).