(1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol

C15H22O3 — CID 10868719

IUPAC(1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol
SMILESCC1C2(OCCO2)[C@H]2C=C[C@]1(C)[C@@H]1C(O)CC[C@@H]12
InChIInChI=1S/C15H22O3/c1-9-14(2)6-5-11(15(9)17-7-8-18-15)10-3-4-12(16)13(10)14/h5-6,9-13,16H,3-4,7-8H2,1-2H3/t9?,10-,11+,12?,13+,14+/m1/s1
InChIKeySRULGEFIAXXHHZ-JUFKBSLCSA-N
MW250.34 g/mol
LogP1.96
Rot. Bonds

About (1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol

(1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol (PubChem CID 10868719) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol.

Molecular Properties

Compound Name(1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol
PubChem CID10868719
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol
SMILESCC1C2(OCCO2)[C@H]2C=C[C@]1(C)[C@@H]1C(O)CC[C@@H]12
InChIInChI=1S/C15H22O3/c1-9-14(2)6-5-11(15(9)17-7-8-18-15)10-3-4-12(16)13(10)14/h5-6,9-13,16H,3-4,7-8H2,1-2H3/t9?,10-,11+,12?,13+,14+/m1/s1
InChIKeySRULGEFIAXXHHZ-JUFKBSLCSA-N
XLogP1.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-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,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol?
The IUPAC name of (1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol (CID 10868719) is (1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol.
What is the SMILES notation for (1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol?
The canonical SMILES for (1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol is CC1C2(OCCO2)[C@H]2C=C[C@]1(C)[C@@H]1C(O)CC[C@@H]12.
What is the InChIKey of (1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol?
The InChIKey is SRULGEFIAXXHHZ-JUFKBSLCSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-14(2)6-5-11(15(9)17-7-8-18-15)10-3-4-12(16)13(10)14/h5-6,9-13,16H,3-4,7-8H2,1-2H3/t9?,10-,11+,12?,13+,14+/m1/s1.
What are the key properties of (1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol?
(1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol has a molecular weight of 250.34 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'R,6'S,7'S)-1',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-3'-ol is sourced from PubChem (CID 10868719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).