(1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane

C18H30O3 — CID 139092132

IUPAC(1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane
SMILESCCC[C@@]12C[C@@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3C[C@]1(CCC)O2
InChIInChI=1S/C18H30O3/c1-5-8-17-11-14-15(3,20-14)10-7-13-16(4,19-13)12-18(17,21-17)9-6-2/h13-14H,5-12H2,1-4H3/t13-,14-,15+,16-,17+,18-/m1/s1
InChIKeyFCZSKIQBGWDLTL-LVZMMCSGSA-N
MW294.44 g/mol
LogP3.98
Rot. Bonds4

About (1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane

(1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane (PubChem CID 139092132) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane.

Molecular Properties

Compound Name(1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane
PubChem CID139092132
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane
SMILESCCC[C@@]12C[C@@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3C[C@]1(CCC)O2
InChIInChI=1S/C18H30O3/c1-5-8-17-11-14-15(3,20-14)10-7-13-16(4,19-13)12-18(17,21-17)9-6-2/h13-14H,5-12H2,1-4H3/t13-,14-,15+,16-,17+,18-/m1/s1
InChIKeyFCZSKIQBGWDLTL-LVZMMCSGSA-N
XLogP3.98
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane?
The IUPAC name of (1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane (CID 139092132) is (1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane.
What is the SMILES notation for (1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane?
The canonical SMILES for (1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane is CCC[C@@]12C[C@@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3C[C@]1(CCC)O2.
What is the InChIKey of (1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane?
The InChIKey is FCZSKIQBGWDLTL-LVZMMCSGSA-N. The full InChI is InChI=1S/C18H30O3/c1-5-8-17-11-14-15(3,20-14)10-7-13-16(4,19-13)12-18(17,21-17)9-6-2/h13-14H,5-12H2,1-4H3/t13-,14-,15+,16-,17+,18-/m1/s1.
What are the key properties of (1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane?
(1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane has a molecular weight of 294.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5S,7R,9S,12R)-1,9-dimethyl-3,5-dipropyl-4,8,13-trioxatetracyclo[10.1.0.03,5.07,9]tridecane is sourced from PubChem (CID 139092132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).