1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione

C18H28O5 — CID 15974483

IUPAC1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione
SMILESO=C1CCCCCCCCCCC=C2CC(CO)(CO1)OC2=O
InChIInChI=1S/C18H28O5/c19-13-18-12-15(17(21)23-18)10-8-6-4-2-1-3-5-7-9-11-16(20)22-14-18/h10,19H,1-9,11-14H2
InChIKeyHUACBKIRQBGPDW-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.05
Rot. Bonds1

About 1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione

1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione (PubChem CID 15974483) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione.

Molecular Properties

Compound Name1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione
PubChem CID15974483
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Name1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione
SMILESO=C1CCCCCCCCCCC=C2CC(CO)(CO1)OC2=O
InChIInChI=1S/C18H28O5/c19-13-18-12-15(17(21)23-18)10-8-6-4-2-1-3-5-7-9-11-16(20)22-14-18/h10,19H,1-9,11-14H2
InChIKeyHUACBKIRQBGPDW-UHFFFAOYSA-N
XLogP3.05
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione?
The IUPAC name of 1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione (CID 15974483) is 1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione.
What is the SMILES notation for 1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione?
The canonical SMILES for 1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione is O=C1CCCCCCCCCCC=C2CC(CO)(CO1)OC2=O.
What is the InChIKey of 1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione?
The InChIKey is HUACBKIRQBGPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5/c19-13-18-12-15(17(21)23-18)10-8-6-4-2-1-3-5-7-9-11-16(20)22-14-18/h10,19H,1-9,11-14H2.
What are the key properties of 1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione?
1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione has a molecular weight of 324.42 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3,18-dioxabicyclo[14.2.1]nonadec-15-ene-4,17-dione is sourced from PubChem (CID 15974483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).