(1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol

C12H14O3 — CID 124784892

IUPAC(1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol
SMILESO[C@@H]1[C@H]2[C@@H]3[C@@H]4[C@H]1[C@H]1[C@@H]2[C@H]3[C@H]4C12OCCO2
InChIInChI=1S/C12H14O3/c13-11-7-3-4-6(7)10-8(11)5(3)9(4)12(10)14-1-2-15-12/h3-11,13H,1-2H2/t3-,4-,5+,6+,7-,8-,9+,10+,11+/m0/s1
InChIKeyBVIQFAVYZSALSY-ZKMCVBIZSA-N
MW206.24 g/mol
LogP0.09
Rot. Bonds

About (1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol

(1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol (PubChem CID 124784892) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol.

Molecular Properties

Compound Name(1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol
PubChem CID124784892
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol
SMILESO[C@@H]1[C@H]2[C@@H]3[C@@H]4[C@H]1[C@H]1[C@@H]2[C@H]3[C@H]4C12OCCO2
InChIInChI=1S/C12H14O3/c13-11-7-3-4-6(7)10-8(11)5(3)9(4)12(10)14-1-2-15-12/h3-11,13H,1-2H2/t3-,4-,5+,6+,7-,8-,9+,10+,11+/m0/s1
InChIKeyBVIQFAVYZSALSY-ZKMCVBIZSA-N
XLogP0.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol?
The IUPAC name of (1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol (CID 124784892) is (1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol.
What is the SMILES notation for (1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol?
The canonical SMILES for (1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol is O[C@@H]1[C@H]2[C@@H]3[C@@H]4[C@H]1[C@H]1[C@@H]2[C@H]3[C@H]4C12OCCO2.
What is the InChIKey of (1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol?
The InChIKey is BVIQFAVYZSALSY-ZKMCVBIZSA-N. The full InChI is InChI=1S/C12H14O3/c13-11-7-3-4-6(7)10-8(11)5(3)9(4)12(10)14-1-2-15-12/h3-11,13H,1-2H2/t3-,4-,5+,6+,7-,8-,9+,10+,11+/m0/s1.
What are the key properties of (1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol?
(1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol has a molecular weight of 206.24 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol is sourced from PubChem (CID 124784892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).