2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol

C16H24O3 — CID 123927001

IUPAC2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol
SMILESC=C1COC(OC)C12CC1C=CCC(C)C1(C)C2O
InChIInChI=1S/C16H24O3/c1-10-6-5-7-12-8-16(13(17)15(10,12)3)11(2)9-19-14(16)18-4/h5,7,10,12-14,17H,2,6,8-9H2,1,3-4H3
InChIKeyCYESBLPEOLIEOK-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.51
Rot. Bonds1

About 2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol

2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol (PubChem CID 123927001) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol.

Molecular Properties

Compound Name2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol
PubChem CID123927001
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol
SMILESC=C1COC(OC)C12CC1C=CCC(C)C1(C)C2O
InChIInChI=1S/C16H24O3/c1-10-6-5-7-12-8-16(13(17)15(10,12)3)11(2)9-19-14(16)18-4/h5,7,10,12-14,17H,2,6,8-9H2,1,3-4H3
InChIKeyCYESBLPEOLIEOK-UHFFFAOYSA-N
XLogP2.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol?
The IUPAC name of 2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol (CID 123927001) is 2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol.
What is the SMILES notation for 2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol?
The canonical SMILES for 2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol is C=C1COC(OC)C12CC1C=CCC(C)C1(C)C2O.
What is the InChIKey of 2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol?
The InChIKey is CYESBLPEOLIEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10-6-5-7-12-8-16(13(17)15(10,12)3)11(2)9-19-14(16)18-4/h5,7,10,12-14,17H,2,6,8-9H2,1,3-4H3.
What are the key properties of 2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol?
2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol has a molecular weight of 264.36 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol is sourced from PubChem (CID 123927001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).