(1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one

C15H22O2 — CID 138525463

IUPAC(1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one
SMILESCC1C[C@H]2O[C@@]13CCC[C@H]3CC1CCC(=O)C12
InChIInChI=1S/C15H22O2/c1-9-7-13-14-10(4-5-12(14)16)8-11-3-2-6-15(9,11)17-13/h9-11,13-14H,2-8H2,1H3/t9?,10?,11-,13+,14?,15-/m0/s1
InChIKeyGSSQUAMAGXPMFG-UMBLBUTOSA-N
MW234.34 g/mol
LogP2.95
Rot. Bonds

About (1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one

(1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one (PubChem CID 138525463) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one.

Molecular Properties

Compound Name(1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one
PubChem CID138525463
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one
SMILESCC1C[C@H]2O[C@@]13CCC[C@H]3CC1CCC(=O)C12
InChIInChI=1S/C15H22O2/c1-9-7-13-14-10(4-5-12(14)16)8-11-3-2-6-15(9,11)17-13/h9-11,13-14H,2-8H2,1H3/t9?,10?,11-,13+,14?,15-/m0/s1
InChIKeyGSSQUAMAGXPMFG-UMBLBUTOSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one?
The IUPAC name of (1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one (CID 138525463) is (1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one.
What is the SMILES notation for (1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one?
The canonical SMILES for (1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one is CC1C[C@H]2O[C@@]13CCC[C@H]3CC1CCC(=O)C12.
What is the InChIKey of (1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one?
The InChIKey is GSSQUAMAGXPMFG-UMBLBUTOSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-7-13-14-10(4-5-12(14)16)8-11-3-2-6-15(9,11)17-13/h9-11,13-14H,2-8H2,1H3/t9?,10?,11-,13+,14?,15-/m0/s1.
What are the key properties of (1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one?
(1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one has a molecular weight of 234.34 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,12R)-14-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadecan-10-one is sourced from PubChem (CID 138525463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).