9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one

C17H24O2 — CID 138520001

IUPAC9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
SMILESCCC1CC2CC1C1C3CC(C21)C1(COC(=O)C1)C3
InChIInChI=1S/C17H24O2/c1-2-9-3-10-4-12(9)15-11-5-13(16(10)15)17(6-11)7-14(18)19-8-17/h9-13,15-16H,2-8H2,1H3
InChIKeyBCJNWEATZAUXOK-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.26
Rot. Bonds1

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

9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one (PubChem CID 138520001) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one.

Molecular Properties

Compound Name9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
PubChem CID138520001
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
SMILESCCC1CC2CC1C1C3CC(C21)C1(COC(=O)C1)C3
InChIInChI=1S/C17H24O2/c1-2-9-3-10-4-12(9)15-11-5-13(16(10)15)17(6-11)7-14(18)19-8-17/h9-13,15-16H,2-8H2,1H3
InChIKeyBCJNWEATZAUXOK-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one?
The IUPAC name of 9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one (CID 138520001) is 9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one.
What is the SMILES notation for 9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one?
The canonical SMILES for 9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one is CCC1CC2CC1C1C3CC(C21)C1(COC(=O)C1)C3.
What is the InChIKey of 9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one?
The InChIKey is BCJNWEATZAUXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-9-3-10-4-12(9)15-11-5-13(16(10)15)17(6-11)7-14(18)19-8-17/h9-13,15-16H,2-8H2,1H3.
What are the key properties of 9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one?
9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one is sourced from PubChem (CID 138520001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).