(5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol

C12H20O3 — CID 10703770

IUPAC(5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol
SMILESC[C@@]12CC[C@@H](O)CC1CCC21OCCO1
InChIInChI=1S/C12H20O3/c1-11-4-3-10(13)8-9(11)2-5-12(11)14-6-7-15-12/h9-10,13H,2-8H2,1H3/t9?,10-,11-/m1/s1
InChIKeyCORUYEKIOZLNQN-FHZGLPGMSA-N
MW212.29 g/mol
LogP1.69
Rot. Bonds

About (5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol

(5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol (PubChem CID 10703770) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol.

Molecular Properties

Compound Name(5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol
PubChem CID10703770
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol
SMILESC[C@@]12CC[C@@H](O)CC1CCC21OCCO1
InChIInChI=1S/C12H20O3/c1-11-4-3-10(13)8-9(11)2-5-12(11)14-6-7-15-12/h9-10,13H,2-8H2,1H3/t9?,10-,11-/m1/s1
InChIKeyCORUYEKIOZLNQN-FHZGLPGMSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol?
The IUPAC name of (5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol (CID 10703770) is (5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol.
What is the SMILES notation for (5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol?
The canonical SMILES for (5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol is C[C@@]12CC[C@@H](O)CC1CCC21OCCO1.
What is the InChIKey of (5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol?
The InChIKey is CORUYEKIOZLNQN-FHZGLPGMSA-N. The full InChI is InChI=1S/C12H20O3/c1-11-4-3-10(13)8-9(11)2-5-12(11)14-6-7-15-12/h9-10,13H,2-8H2,1H3/t9?,10-,11-/m1/s1.
What are the key properties of (5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol?
(5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol has a molecular weight of 212.29 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5'R,7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-3,3a,4,5,6,7-hexahydro-2H-indene]-5'-ol is sourced from PubChem (CID 10703770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).