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

C20H34O3 — CID 163001532

IUPAC(2R)-2-hydroxy-2,4-dimethyl-5-[(Z,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)(O)O1
InChIInChI=1S/C20H34O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)18-17(6)19(21)20(7,22)23-18/h12-15,22H,8-11H2,1-7H3/b16-12-/t13-,14-,15-,20+/m0/s1
InChIKeyRZTZCYIQYLIOJI-QXLSYPFCSA-N
MW322.49 g/mol
LogP5.00
Rot. Bonds8

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

(2R)-2-hydroxy-2,4-dimethyl-5-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one (PubChem CID 163001532) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (2R)-2-hydroxy-2,4-dimethyl-5-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2,4-dimethyl-5-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one
PubChem CID163001532
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(2R)-2-hydroxy-2,4-dimethyl-5-[(Z,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)(O)O1
InChIInChI=1S/C20H34O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)18-17(6)19(21)20(7,22)23-18/h12-15,22H,8-11H2,1-7H3/b16-12-/t13-,14-,15-,20+/m0/s1
InChIKeyRZTZCYIQYLIOJI-QXLSYPFCSA-N
XLogP5.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-hydroxy-2,4-dimethyl-5-[(Z,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

2-hydroxy-2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one
CID 9996262
Scopranone A
CID 132609428
2-Ethyl-4-(2-ethylbutyl)-2-hydroxy-5-pent-2-en-3-ylfuran-3-one
CID 162814934
(2R)-2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one
CID 162879110
(2S)-2-hydroxy-2,4-dimethyl-5-[(2E,4E,6S,7E,10S,12S)-4,6,8,10,12-pentamethyl-9-oxotetradeca-2,4,7-trien-2-yl]furan-3-one
CID 162903777
(2R)-2-hydroxy-2,4-dimethyl-5-[(E,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one
CID 163001531
2,4-Dimethyl-5-(1,3,5,7-tetramethyl-1-nonenyl)-2,3-dihydro-2-furanol
CID 5387832
2-hydroxy-2,4-dimethyl-5-[(2Z,4E,6R,8R)-4,6,8-trimethylundeca-2,4-dien-2-yl]furan-3-one
CID 138983637
2-ethyl-4-(2-ethylbutyl)-2-hydroxy-5-[(E)-pent-2-en-3-yl]uran-3-one
CID 162814935
(2S)-2-hydroxy-2,4-dimethyl-5-[(6S,8S)-4,6,8-trimethylundeca-2,4-dien-2-yl]furan-3-one
CID 162933168
(2S)-2-hydroxy-2,4-dimethyl-5-[(2Z,4E,6S,8S)-4,6,8-trimethylundeca-2,4-dien-2-yl]furan-3-one
CID 163186831
(2S)-2-hydroxy-2,4-dimethyl-5-[(2E,4E,6S,8S)-4,6,8-trimethylundeca-2,4-dien-2-yl]furan-3-one
CID 163186832

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2,4-dimethyl-5-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one?
The IUPAC name of (2R)-2-hydroxy-2,4-dimethyl-5-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one (CID 163001532) is (2R)-2-hydroxy-2,4-dimethyl-5-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one.
What is the SMILES notation for (2R)-2-hydroxy-2,4-dimethyl-5-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one?
The canonical SMILES for (2R)-2-hydroxy-2,4-dimethyl-5-[(Z,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)(O)O1.
What is the InChIKey of (2R)-2-hydroxy-2,4-dimethyl-5-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one?
The InChIKey is RZTZCYIQYLIOJI-QXLSYPFCSA-N. The full InChI is InChI=1S/C20H34O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)18-17(6)19(21)20(7,22)23-18/h12-15,22H,8-11H2,1-7H3/b16-12-/t13-,14-,15-,20+/m0/s1.
What are the key properties of (2R)-2-hydroxy-2,4-dimethyl-5-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one?
(2R)-2-hydroxy-2,4-dimethyl-5-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one has a molecular weight of 322.49 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2,4-dimethyl-5-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]furan-3-one is sourced from PubChem (CID 163001532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).