(1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione

C18H30O5 — CID 11727136

IUPAC(1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione
SMILESCCCCC[C@@H]1CCCCC[C@@H]2CC(=O)[C@@](O)(CCC(=O)O1)O2
InChIInChI=1S/C18H30O5/c1-2-3-5-8-14-9-6-4-7-10-15-13-16(19)18(21,23-15)12-11-17(20)22-14/h14-15,21H,2-13H2,1H3/t14-,15-,18-/m1/s1
InChIKeyIBDVATCSJHTIKV-IIDMSEBBSA-N
MW326.43 g/mol
LogP3.27
Rot. Bonds4

About (1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione

(1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione (PubChem CID 11727136) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is (1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione.

Molecular Properties

Compound Name(1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione
PubChem CID11727136
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name(1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione
SMILESCCCCC[C@@H]1CCCCC[C@@H]2CC(=O)[C@@](O)(CCC(=O)O1)O2
InChIInChI=1S/C18H30O5/c1-2-3-5-8-14-9-6-4-7-10-15-13-16(19)18(21,23-15)12-11-17(20)22-14/h14-15,21H,2-13H2,1H3/t14-,15-,18-/m1/s1
InChIKeyIBDVATCSJHTIKV-IIDMSEBBSA-N
XLogP3.27
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-octyloxocan-2-one
CID 90108064
6-icosyloxan-2-one
CID 100966702
(5S)-5-tridecyloxolan-2-one
CID 11065462
(5S)-5-pentacosyloxolan-2-one
CID 11102176
5-octyloxolan-2-one
CID 16821
13-propyl-oxacyclotridecan-2-one
CID 54410072
(5R)-5-butyloxolan-2-one
CID 7057971
(6Z)-2-dodecyl-2,3,4,5,8,9-hexahydrooxecin-10-one
CID 45029054
4-dodecyloxetan-2-one
CID 90110174
(5S)-5-hydroxy-5-[2-[(2R,8R)-8-pentyloxocan-2-yl]acetyl]oxolan-2-one
CID 162927997
10-(7-hydroxyheptyl)oxecan-2-one
CID 141387708
2-pentyl-1-oxaspiro[4.5]decan-4-one
CID 85132434

Frequently Asked Questions

What is the IUPAC name of (1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione?
The IUPAC name of (1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione (CID 11727136) is (1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione.
What is the SMILES notation for (1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione?
The canonical SMILES for (1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione is CCCCC[C@@H]1CCCCC[C@@H]2CC(=O)[C@@](O)(CCC(=O)O1)O2.
What is the InChIKey of (1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione?
The InChIKey is IBDVATCSJHTIKV-IIDMSEBBSA-N. The full InChI is InChI=1S/C18H30O5/c1-2-3-5-8-14-9-6-4-7-10-15-13-16(19)18(21,23-15)12-11-17(20)22-14/h14-15,21H,2-13H2,1H3/t14-,15-,18-/m1/s1.
What are the key properties of (1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione?
(1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione has a molecular weight of 326.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione is sourced from PubChem (CID 11727136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).