(2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one

C20H30O4 — CID 162993922

IUPAC(2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one
SMILESC=C(C)[C@@H](O)CCC1=CC[C@H](/C(C)=C/CC/C(C)=C\CO)OC1=O
InChIInChI=1S/C20H30O4/c1-14(2)18(22)10-8-17-9-11-19(24-20(17)23)16(4)7-5-6-15(3)12-13-21/h7,9,12,18-19,21-22H,1,5-6,8,10-11,13H2,2-4H3/b15-12-,16-7+/t18-,19+/m0/s1
InChIKeyGYTNQUOIFMFFHU-COWBHMTBSA-N
MW334.46 g/mol
LogP3.61
Rot. Bonds9

About (2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one

(2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one (PubChem CID 162993922) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one
PubChem CID162993922
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one
SMILESC=C(C)[C@@H](O)CCC1=CC[C@H](/C(C)=C/CC/C(C)=C\CO)OC1=O
InChIInChI=1S/C20H30O4/c1-14(2)18(22)10-8-17-9-11-19(24-20(17)23)16(4)7-5-6-15(3)12-13-21/h7,9,12,18-19,21-22H,1,5-6,8,10-11,13H2,2-4H3/b15-12-,16-7+/t18-,19+/m0/s1
InChIKeyGYTNQUOIFMFFHU-COWBHMTBSA-N
XLogP3.61
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one with MolForge

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Related Compounds

(2R)-5-[(3S)-3-hydroperoxy-4-methylpent-4-enyl]-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-2,3-dihydropyran-6-one
CID 162905130
(2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one
CID 162858673
(2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
CID 162932378
(2R)-2-[(Z,1R)-1,6-dihydroxy-4-methylhex-4-enyl]-6-[(Z)-5-hydroxy-4-methylpent-3-enyl]-2-methyl-3,4-dihydrooxepin-7-one
CID 163193631
(3R,6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol
CID 163039097
(6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one
CID 86742985
1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 167683772
(2R,6E,10E)-13-(2-hydroxy-5-oxo-2H-furan-4-yl)-2,6,10-trimethyltrideca-6,10-dienoic acid
CID 163107949
3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5-dihydrothiophene 1,1-dioxide
CID 164597144
(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene
CID 169000974
3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol
CID 72753022
(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde
CID 162436720

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one (CID 162993922) is (2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one is C=C(C)[C@@H](O)CCC1=CC[C@H](/C(C)=C/CC/C(C)=C\CO)OC1=O.
What is the InChIKey of (2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one?
The InChIKey is GYTNQUOIFMFFHU-COWBHMTBSA-N. The full InChI is InChI=1S/C20H30O4/c1-14(2)18(22)10-8-17-9-11-19(24-20(17)23)16(4)7-5-6-15(3)12-13-21/h7,9,12,18-19,21-22H,1,5-6,8,10-11,13H2,2-4H3/b15-12-,16-7+/t18-,19+/m0/s1.
What are the key properties of (2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one?
(2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one has a molecular weight of 334.46 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 162993922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).