(4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one

C20H30O4 — CID 23585788

IUPAC(4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one
SMILESC=C1C(=O)OC2CC1C(O)C/C(C)=C/CC/C(C)=C\C(O)CC2C
InChIInChI=1S/C20H30O4/c1-12-6-5-7-13(2)9-18(22)17-11-19(24-20(23)15(17)4)14(3)10-16(21)8-12/h7-8,14,16-19,21-22H,4-6,9-11H2,1-3H3/b12-8-,13-7+
InChIKeyGQTPRLWQZDUWKJ-CZAVNJROSA-N
MW334.46 g/mol
LogP3.30
Rot. Bonds

About (4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one

(4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one (PubChem CID 23585788) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one.

Molecular Properties

Compound Name(4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one
PubChem CID23585788
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one
SMILESC=C1C(=O)OC2CC1C(O)C/C(C)=C/CC/C(C)=C\C(O)CC2C
InChIInChI=1S/C20H30O4/c1-12-6-5-7-13(2)9-18(22)17-11-19(24-20(23)15(17)4)14(3)10-16(21)8-12/h7-8,14,16-19,21-22H,4-6,9-11H2,1-3H3/b12-8-,13-7+
InChIKeyGQTPRLWQZDUWKJ-CZAVNJROSA-N
XLogP3.30
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one with MolForge

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Related Compounds

5-hydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
CID 76514578
(3aR,4S,5E,9E,11aS)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one
CID 162963245
(3aR,5S,6R,15aS)-5,6-dihydroxy-6,10,14-trimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one
CID 162888140
(3aR,4R,6E,10E,11aS)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 162947614
[(3aR,4R,5E,9Z,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] acetate
CID 162871707
[(3aR,4R,5E,9E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] acetate
CID 5281475
[(5E,9E)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] acetate
CID 5383546
(3aS,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 6436243
(3aS,5R,6E,10E,11aS)-5-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 163030324
(3aR,6E,8S,10E)-8-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 118701730
(3aR,5Z,9E,13E,15aS)-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2-one
CID 24899913
(5E,9E,13E)-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2-one
CID 177465486

Frequently Asked Questions

What is the IUPAC name of (4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one?
The IUPAC name of (4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one (CID 23585788) is (4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one.
What is the SMILES notation for (4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one?
The canonical SMILES for (4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one is C=C1C(=O)OC2CC1C(O)C/C(C)=C/CC/C(C)=C\C(O)CC2C.
What is the InChIKey of (4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one?
The InChIKey is GQTPRLWQZDUWKJ-CZAVNJROSA-N. The full InChI is InChI=1S/C20H30O4/c1-12-6-5-7-13(2)9-18(22)17-11-19(24-20(23)15(17)4)14(3)10-16(21)8-12/h7-8,14,16-19,21-22H,4-6,9-11H2,1-3H3/b12-8-,13-7+.
What are the key properties of (4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one?
(4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one has a molecular weight of 334.46 g/mol, XLogP of 3.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8Z)-2,10-dihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one is sourced from PubChem (CID 23585788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).