3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol

C18H30O4 — CID 59274586

IUPAC3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol
SMILESC[C@H]1[C@@H](CCCO)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3
InChIInChI=1S/C18H30O4/c1-11-6-7-14-12(2)15(5-4-10-19)20-16-18(14)13(11)8-9-17(3,21-16)22-18/h11-16,19H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16-,17+,18-/m1/s1
InChIKeyUZSFWZPJOCVVPJ-UEHFCBIJSA-N
MW310.43 g/mol
LogP3.08
Rot. Bonds3

About 3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol

3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol (PubChem CID 59274586) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol
PubChem CID59274586
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol
SMILESC[C@H]1[C@@H](CCCO)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3
InChIInChI=1S/C18H30O4/c1-11-6-7-14-12(2)15(5-4-10-19)20-16-18(14)13(11)8-9-17(3,21-16)22-18/h11-16,19H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16-,17+,18-/m1/s1
InChIKeyUZSFWZPJOCVVPJ-UEHFCBIJSA-N
XLogP3.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol 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 3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol?
The IUPAC name of 3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol (CID 59274586) is 3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol.
What is the SMILES notation for 3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol?
The canonical SMILES for 3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol is C[C@H]1[C@@H](CCCO)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3.
What is the InChIKey of 3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol?
The InChIKey is UZSFWZPJOCVVPJ-UEHFCBIJSA-N. The full InChI is InChI=1S/C18H30O4/c1-11-6-7-14-12(2)15(5-4-10-19)20-16-18(14)13(11)8-9-17(3,21-16)22-18/h11-16,19H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16-,17+,18-/m1/s1.
What are the key properties of 3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol?
3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol has a molecular weight of 310.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol is sourced from PubChem (CID 59274586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).