9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one

C17H24O2 — CID 20609587

IUPAC9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
SMILESCC1C(C)C2CC1C1C3CC(C21)C1(CCOC1=O)C3
InChIInChI=1S/C17H24O2/c1-8-9(2)12-6-11(8)14-10-5-13(15(12)14)17(7-10)3-4-19-16(17)18/h8-15H,3-7H2,1-2H3
InChIKeySZKBZWUQZBPHPI-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.11
Rot. Bonds

About 9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one

9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one (PubChem CID 20609587) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one.

Molecular Properties

Compound Name9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
PubChem CID20609587
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
SMILESCC1C(C)C2CC1C1C3CC(C21)C1(CCOC1=O)C3
InChIInChI=1S/C17H24O2/c1-8-9(2)12-6-11(8)14-10-5-13(15(12)14)17(7-10)3-4-19-16(17)18/h8-15H,3-7H2,1-2H3
InChIKeySZKBZWUQZBPHPI-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one with MolForge

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Related Compounds

4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester
CID 14833045
Ethyl (1R,2R,6R,7S)-tricyclo[5.2.1.02,6]decane-2-carboxylate
CID 157342
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
CID 157343
4,7-Methano-1H-indene-5-carboxylic acid, octahydro-, ethyl ester
CID 109171
1,6-Bis[(octahydro-4,7-methano-1H-inden-5-yl)methyl] hexanedioate
CID 159291837
Tert-butyl 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 20743950
Tert-butyl 4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 20826543
Tert-butyl 4-fluorotetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 21053480
Methyl 4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 57959347
3,3-Difluorobutan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 58100678
CID 58699663
CID 58699663
CID 58699665
CID 58699665

Frequently Asked Questions

What is the IUPAC name of 9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one?
The IUPAC name of 9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one (CID 20609587) is 9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one.
What is the SMILES notation for 9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one?
The canonical SMILES for 9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one is CC1C(C)C2CC1C1C3CC(C21)C1(CCOC1=O)C3.
What is the InChIKey of 9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one?
The InChIKey is SZKBZWUQZBPHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-8-9(2)12-6-11(8)14-10-5-13(15(12)14)17(7-10)3-4-19-16(17)18/h8-15H,3-7H2,1-2H3.
What are the key properties of 9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one?
9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9',10'-dimethylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one is sourced from PubChem (CID 20609587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).