1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one

C20H32O4 — CID 579930

IUPAC1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one
SMILESCC1CCCCCCCCCCCCC2=CC(O)=CC(=O)C2(O)O1
InChIInChI=1S/C20H32O4/c1-16-12-10-8-6-4-2-3-5-7-9-11-13-17-14-18(21)15-19(22)20(17,23)24-16/h14-16,21,23H,2-13H2,1H3
InChIKeyWOZZLCINBFOCBN-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.73
Rot. Bonds

About 1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one

1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one (PubChem CID 579930) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one.

Molecular Properties

Compound Name1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one
PubChem CID579930
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one
SMILESCC1CCCCCCCCCCCCC2=CC(O)=CC(=O)C2(O)O1
InChIInChI=1S/C20H32O4/c1-16-12-10-8-6-4-2-3-5-7-9-11-13-17-14-18(21)15-19(22)20(17,23)24-16/h14-16,21,23H,2-13H2,1H3
InChIKeyWOZZLCINBFOCBN-UHFFFAOYSA-N
XLogP4.73
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-fluoro-4-hydroxy-6-oxo-2-pentylcyclohexa-2,4-dien-1-yl] acetate
CID 177067661
[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-fluoro-3-hydroxy-4-oxo-5-pentylcyclohexa-2,5-dien-1-yl] acetate
CID 177067676
5-[(1R)-1-hydroxyhex-5-enyl]-6,6-dimethoxycyclohexa-2,4-dien-1-one
CID 102577411
2-(4-Hydroxyhex-5-enyl)-6,6-dimethoxycyclohexa-2,4-dien-1-one
CID 146166017
4-Cyclohexyloxycarbonyl-2-methylidenehexadec-3-enoic acid
CID 57161782
6-hexyl-2-hydroxy-4-methyl-2H-pyran-5-one
CID 67672574
2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-4-methylidenecyclohexa-2,5-dien-1-one
CID 68029149
2-Dodecyl-4-hydroxy-5-(3,4,5-trihydroxycyclohexa-1,5-dien-1-yl)furan-3-one
CID 70843826
(2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]tetradecanoic acid
CID 140391961
(2E)-2-[(2-ethyl-4,5-dimethoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid
CID 141577569
10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanoic acid;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanoate
CID 160182181
1-(2,4-dihydroxy-6-methyl-2H-pyran-3-yl)decan-1-one
CID 164114400

Frequently Asked Questions

What is the IUPAC name of 1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one?
The IUPAC name of 1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one (CID 579930) is 1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one.
What is the SMILES notation for 1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one?
The canonical SMILES for 1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one is CC1CCCCCCCCCCCCC2=CC(O)=CC(=O)C2(O)O1.
What is the InChIKey of 1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one?
The InChIKey is WOZZLCINBFOCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-16-12-10-8-6-4-2-3-5-7-9-11-13-17-14-18(21)15-19(22)20(17,23)24-16/h14-16,21,23H,2-13H2,1H3.
What are the key properties of 1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one?
1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one has a molecular weight of 336.47 g/mol, XLogP of 4.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one is sourced from PubChem (CID 579930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).