(1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene]

C17H20O2 — CID 155936762

IUPAC(1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene]
SMILESC1=C[C@@H](c2ccccc2)[C@@H]2CC3(CC[C@H]12)OCCO3
InChIInChI=1S/C17H20O2/c1-2-4-13(5-3-1)15-7-6-14-8-9-17(12-16(14)15)18-10-11-19-17/h1-7,14-16H,8-12H2/t14-,15-,16+/m0/s1
InChIKeyCHVRLRPPOFFSBX-HRCADAONSA-N
MW256.35 g/mol
LogP3.50
Rot. Bonds1

About (1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene]

(1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene] (PubChem CID 155936762) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene].

Molecular Properties

Compound Name(1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene]
PubChem CID155936762
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name(1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene]
SMILESC1=C[C@@H](c2ccccc2)[C@@H]2CC3(CC[C@H]12)OCCO3
InChIInChI=1S/C17H20O2/c1-2-4-13(5-3-1)15-7-6-14-8-9-17(12-16(14)15)18-10-11-19-17/h1-7,14-16H,8-12H2/t14-,15-,16+/m0/s1
InChIKeyCHVRLRPPOFFSBX-HRCADAONSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene]?
The IUPAC name of (1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene] (CID 155936762) is (1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene].
What is the SMILES notation for (1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene]?
The canonical SMILES for (1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene] is C1=C[C@@H](c2ccccc2)[C@@H]2CC3(CC[C@H]12)OCCO3.
What is the InChIKey of (1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene]?
The InChIKey is CHVRLRPPOFFSBX-HRCADAONSA-N. The full InChI is InChI=1S/C17H20O2/c1-2-4-13(5-3-1)15-7-6-14-8-9-17(12-16(14)15)18-10-11-19-17/h1-7,14-16H,8-12H2/t14-,15-,16+/m0/s1.
What are the key properties of (1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene]?
(1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene] has a molecular weight of 256.35 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene] is sourced from PubChem (CID 155936762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).