13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione

C19H26O4 — CID 163149256

IUPAC13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione
SMILESCC12CCC3C4CCCC5(COC(=O)C5)C4CCC3(C1)OC2=O
InChIInChI=1S/C19H26O4/c1-17-7-4-14-12-3-2-6-18(9-15(20)22-11-18)13(12)5-8-19(14,10-17)23-16(17)21/h12-14H,2-11H2,1H3
InChIKeyMSUMEITVNFFPCF-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.23
Rot. Bonds

About 13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione

13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione (PubChem CID 163149256) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is 13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione.

Molecular Properties

Compound Name13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione
PubChem CID163149256
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione
SMILESCC12CCC3C4CCCC5(COC(=O)C5)C4CCC3(C1)OC2=O
InChIInChI=1S/C19H26O4/c1-17-7-4-14-12-3-2-6-18(9-15(20)22-11-18)13(12)5-8-19(14,10-17)23-16(17)21/h12-14H,2-11H2,1H3
InChIKeyMSUMEITVNFFPCF-UHFFFAOYSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione?
The IUPAC name of 13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione (CID 163149256) is 13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione.
What is the SMILES notation for 13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione?
The canonical SMILES for 13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione is CC12CCC3C4CCCC5(COC(=O)C5)C4CCC3(C1)OC2=O.
What is the InChIKey of 13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione?
The InChIKey is MSUMEITVNFFPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-17-7-4-14-12-3-2-6-18(9-15(20)22-11-18)13(12)5-8-19(14,10-17)23-16(17)21/h12-14H,2-11H2,1H3.
What are the key properties of 13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione?
13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione has a molecular weight of 318.41 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methylspiro[15-oxatetracyclo[11.2.1.01,10.04,9]hexadecane-5,4'-oxolane]-2',14-dione is sourced from PubChem (CID 163149256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).