2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one

C20H34O2 — CID 10757069

IUPAC2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one
SMILESCCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)C1=C(C)C(=O)C(C)O1
InChIInChI=1S/C20H34O2/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)20-17(6)19(21)18(7)22-20/h12-15,18H,8-11H2,1-7H3/b16-12+/t13-,14-,15-,18?/m0/s1
InChIKeyMFIFUIBJYOGPRT-ULTQPTRYSA-N
MW306.49 g/mol
LogP5.68
Rot. Bonds8

About 2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one

2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one (PubChem CID 10757069) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one
PubChem CID10757069
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one
SMILESCCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)C1=C(C)C(=O)C(C)O1
InChIInChI=1S/C20H34O2/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)20-17(6)19(21)18(7)22-20/h12-15,18H,8-11H2,1-7H3/b16-12+/t13-,14-,15-,18?/m0/s1
InChIKeyMFIFUIBJYOGPRT-ULTQPTRYSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-hydroxy-3,5-dimethyl-6-[(E,6R)-4,6,8-trimethylundec-2-en-2-yl]pyran-2-one
CID 54679368
2-hydroxy-2,4-dimethyl-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one
CID 74051516
3-(2,4-dimethylheptyl)-5-methyloxolan-2-one
CID 71335311
(E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol
CID 101374149
(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one
CID 11737209
4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one
CID 90662535
(2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal
CID 10900342
3-[(E)-2,4,6-trimethylnon-2-enyl]oxolane-2,5-dione
CID 45052020
3-(2,4,6-trimethylnon-2-enyl)oxolane-2,5-dione
CID 75087088
3-[(2R,4S)-2,4-dimethylheptyl]-5-methyl-2,3-dihydropyran-6-one
CID 10610002
(E,2S,6S,8S,10S)-N-methoxy-N,2,4,6,8,10-hexamethyl-3-oxotridec-4-enamide
CID 101213983
2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one
CID 163155721

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one?
The IUPAC name of 2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one (CID 10757069) is 2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one.
What is the SMILES notation for 2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one?
The canonical SMILES for 2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one is CCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)C1=C(C)C(=O)C(C)O1.
What is the InChIKey of 2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one?
The InChIKey is MFIFUIBJYOGPRT-ULTQPTRYSA-N. The full InChI is InChI=1S/C20H34O2/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)20-17(6)19(21)18(7)22-20/h12-15,18H,8-11H2,1-7H3/b16-12+/t13-,14-,15-,18?/m0/s1.
What are the key properties of 2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one?
2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one has a molecular weight of 306.49 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one is sourced from PubChem (CID 10757069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).