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

C15H26O3 — CID 62706451

IUPAC(2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol
SMILESCC(C)[C@H]1[C@H]2CC3(CC[C@]2(C)C[C@@H]1O)OCCO3
InChIInChI=1S/C15H26O3/c1-10(2)13-11-8-15(17-6-7-18-15)5-4-14(11,3)9-12(13)16/h10-13,16H,4-9H2,1-3H3/t11-,12+,13+,14-/m1/s1
InChIKeyNNWSTMANDLRKGX-ZOBORPQBSA-N
MW254.37 g/mol
LogP2.57
Rot. Bonds1

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

(2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol (PubChem CID 62706451) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol.

Molecular Properties

Compound Name(2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol
PubChem CID62706451
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol
SMILESCC(C)[C@H]1[C@H]2CC3(CC[C@]2(C)C[C@@H]1O)OCCO3
InChIInChI=1S/C15H26O3/c1-10(2)13-11-8-15(17-6-7-18-15)5-4-14(11,3)9-12(13)16/h10-13,16H,4-9H2,1-3H3/t11-,12+,13+,14-/m1/s1
InChIKeyNNWSTMANDLRKGX-ZOBORPQBSA-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 (2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-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 (2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol?
The IUPAC name of (2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol (CID 62706451) is (2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol.
What is the SMILES notation for (2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol?
The canonical SMILES for (2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol is CC(C)[C@H]1[C@H]2CC3(CC[C@]2(C)C[C@@H]1O)OCCO3.
What is the InChIKey of (2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol?
The InChIKey is NNWSTMANDLRKGX-ZOBORPQBSA-N. The full InChI is InChI=1S/C15H26O3/c1-10(2)13-11-8-15(17-6-7-18-15)5-4-14(11,3)9-12(13)16/h10-13,16H,4-9H2,1-3H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of (2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol?
(2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-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 (2'S,3'S,3'aR,7'aR)-7'a-methyl-3'-propan-2-ylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-2'-ol is sourced from PubChem (CID 62706451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).