16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde

C19H26O5 — CID 56842251

IUPAC16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde
SMILESCC1CCC(C=O)CCCCCCc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C19H26O5/c1-13-8-9-14(12-20)6-4-2-3-5-7-15-10-16(21)11-17(22)18(15)19(23)24-13/h10-14,21-22H,2-9H2,1H3
InChIKeyOZTDKKVVJUUNEA-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.74
Rot. Bonds1

About 16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde

16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde (PubChem CID 56842251) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is 16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde.

Molecular Properties

Compound Name16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde
PubChem CID56842251
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde
SMILESCC1CCC(C=O)CCCCCCc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C19H26O5/c1-13-8-9-14(12-20)6-4-2-3-5-7-15-10-16(21)11-17(22)18(15)19(23)24-13/h10-14,21-22H,2-9H2,1H3
InChIKeyOZTDKKVVJUUNEA-UHFFFAOYSA-N
XLogP3.74
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde?
The IUPAC name of 16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde (CID 56842251) is 16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde.
What is the SMILES notation for 16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde?
The canonical SMILES for 16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde is CC1CCC(C=O)CCCCCCc2cc(O)cc(O)c2C(=O)O1.
What is the InChIKey of 16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde?
The InChIKey is OZTDKKVVJUUNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c1-13-8-9-14(12-20)6-4-2-3-5-7-15-10-16(21)11-17(22)18(15)19(23)24-13/h10-14,21-22H,2-9H2,1H3.
What are the key properties of 16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde?
16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde has a molecular weight of 334.41 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde is sourced from PubChem (CID 56842251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).