(1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol

C15H26O3 — CID 62706452

IUPAC(1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol
SMILESCC(C)[C@@H]1C[C@@H](O)[C@@]2(C)CCC3(C[C@H]12)OCCO3
InChIInChI=1S/C15H26O3/c1-10(2)11-8-13(16)14(3)4-5-15(9-12(11)14)17-6-7-18-15/h10-13,16H,4-9H2,1-3H3/t11-,12+,13+,14-/m0/s1
InChIKeyGVXMLPPIIPROLG-DGAVXFQQSA-N
MW254.37 g/mol
LogP2.57
Rot. Bonds1

About (1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol

(1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol (PubChem CID 62706452) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol.

Molecular Properties

Compound Name(1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol
PubChem CID62706452
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol
SMILESCC(C)[C@@H]1C[C@@H](O)[C@@]2(C)CCC3(C[C@H]12)OCCO3
InChIInChI=1S/C15H26O3/c1-10(2)11-8-13(16)14(3)4-5-15(9-12(11)14)17-6-7-18-15/h10-13,16H,4-9H2,1-3H3/t11-,12+,13+,14-/m0/s1
InChIKeyGVXMLPPIIPROLG-DGAVXFQQSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-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 (1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol?
The IUPAC name of (1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol (CID 62706452) is (1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol.
What is the SMILES notation for (1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol?
The canonical SMILES for (1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol is CC(C)[C@@H]1C[C@@H](O)[C@@]2(C)CCC3(C[C@H]12)OCCO3.
What is the InChIKey of (1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol?
The InChIKey is GVXMLPPIIPROLG-DGAVXFQQSA-N. The full InChI is InChI=1S/C15H26O3/c1-10(2)11-8-13(16)14(3)4-5-15(9-12(11)14)17-6-7-18-15/h10-13,16H,4-9H2,1-3H3/t11-,12+,13+,14-/m0/s1.
What are the key properties of (1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol?
(1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol has a molecular weight of 254.37 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3'S,3'aR,7'aS)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol is sourced from PubChem (CID 62706452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).