(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane

C11H18O2 — CID 168806834

IUPAC(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane
SMILESCC(C)C1C2CO[C@H]3OCC1C3C2
InChIInChI=1S/C11H18O2/c1-6(2)10-7-3-8-9(10)5-13-11(8)12-4-7/h6-11H,3-5H2,1-2H3/t7?,8?,9?,10?,11-/m0/s1
InChIKeyASMLNHHDHSCOCE-FIJQTJJSSA-N
MW182.26 g/mol
LogP1.90
Rot. Bonds1

About (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane

(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane (PubChem CID 168806834) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane.

Molecular Properties

Compound Name(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane
PubChem CID168806834
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane
SMILESCC(C)C1C2CO[C@H]3OCC1C3C2
InChIInChI=1S/C11H18O2/c1-6(2)10-7-3-8-9(10)5-13-11(8)12-4-7/h6-11H,3-5H2,1-2H3/t7?,8?,9?,10?,11-/m0/s1
InChIKeyASMLNHHDHSCOCE-FIJQTJJSSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane 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 (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane?
The IUPAC name of (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane (CID 168806834) is (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane.
What is the SMILES notation for (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane?
The canonical SMILES for (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane is CC(C)C1C2CO[C@H]3OCC1C3C2.
What is the InChIKey of (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane?
The InChIKey is ASMLNHHDHSCOCE-FIJQTJJSSA-N. The full InChI is InChI=1S/C11H18O2/c1-6(2)10-7-3-8-9(10)5-13-11(8)12-4-7/h6-11H,3-5H2,1-2H3/t7?,8?,9?,10?,11-/m0/s1.
What are the key properties of (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane?
(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane has a molecular weight of 182.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane is sourced from PubChem (CID 168806834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).