(3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one

C15H20O2 — CID 166653902

IUPAC(3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
SMILESCC1CC2CC1C1C3CC(C4C(=O)OCC34)C21
InChIInChI=1S/C15H20O2/c1-6-2-7-3-8(6)13-9-4-10(12(7)13)14-11(9)5-17-15(14)16/h6-14H,2-5H2,1H3
InChIKeyJWZFOCYFYVKYQV-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.33
Rot. Bonds

About (3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one

(3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one (PubChem CID 166653902) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one.

Molecular Properties

Compound Name(3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
PubChem CID166653902
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
SMILESCC1CC2CC1C1C3CC(C4C(=O)OCC34)C21
InChIInChI=1S/C15H20O2/c1-6-2-7-3-8(6)13-9-4-10(12(7)13)14-11(9)5-17-15(14)16/h6-14H,2-5H2,1H3
InChIKeyJWZFOCYFYVKYQV-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one with MolForge

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Related Compounds

5-methyl-4-sulfanyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
CID 146326876
(12-oxo-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) propanoate
CID 71001624
(12-oxo-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) prop-2-enoate
CID 58667668
(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
6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane;4,11-dimethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane;4,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 159041892
6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 58944334
8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 58868408
8,9-dihydroxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 22034559
6-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
CID 149140833
9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 146529876
(1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione
CID 122219892
(E)-2-methyl-3-(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enoic acid
CID 67120343

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one?
The IUPAC name of (3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one (CID 166653902) is (3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one.
What is the SMILES notation for (3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one?
The canonical SMILES for (3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one is CC1CC2CC1C1C3CC(C4C(=O)OCC34)C21.
What is the InChIKey of (3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one?
The InChIKey is JWZFOCYFYVKYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-6-2-7-3-8(6)13-9-4-10(12(7)13)14-11(9)5-17-15(14)16/h6-14H,2-5H2,1H3.
What are the key properties of (3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one?
(3R)-4-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 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one is sourced from PubChem (CID 166653902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).