6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one

C15H20O2 — CID 149140833

IUPAC6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
SMILESCC12CCC(C1)C1C3CC(C4C(=O)OCC34)C12
InChIInChI=1S/C15H20O2/c1-15-3-2-7(5-15)11-8-4-9(13(11)15)12-10(8)6-17-14(12)16/h7-13H,2-6H2,1H3
InChIKeyRHSQIFPHDLAOGP-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.48
Rot. Bonds

About 6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one

6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one (PubChem CID 149140833) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one.

Molecular Properties

Compound Name6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
PubChem CID149140833
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
SMILESCC12CCC(C1)C1C3CC(C4C(=O)OCC34)C12
InChIInChI=1S/C15H20O2/c1-15-3-2-7(5-15)11-8-4-9(13(11)15)12-10(8)6-17-14(12)16/h7-13H,2-6H2,1H3
InChIKeyRHSQIFPHDLAOGP-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
CID 166653902
8,9-dihydroxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 22034559
8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 58868408
5-methyl-4-sulfanyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
CID 146326876
1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 12936587
(12-oxo-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) propanoate
CID 71001624
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 11804959
(1S,2S,6S,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 124787625
(1S,2R,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 98519994
10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 123915338
(9-ethyl-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
CID 22168866
(12-oxo-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 70888766

Frequently Asked Questions

What is the IUPAC name of 6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one?
The IUPAC name of 6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one (CID 149140833) is 6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one.
What is the SMILES notation for 6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one?
The canonical SMILES for 6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one is CC12CCC(C1)C1C3CC(C4C(=O)OCC34)C12.
What is the InChIKey of 6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one?
The InChIKey is RHSQIFPHDLAOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-15-3-2-7(5-15)11-8-4-9(13(11)15)12-10(8)6-17-14(12)16/h7-13H,2-6H2,1H3.
What are the key properties of 6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one?
6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one has a molecular weight of 232.32 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one is sourced from PubChem (CID 149140833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).