Kcg 10

C15H20O4 — CID 126849

IUPAC[(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C(=O)C=C[C@H](O1)CC2=CCCCC2
InChIInChI=1S/C15H20O4/c1-11(16)18-10-15-14(17)8-7-13(19-15)9-12-5-3-2-4-6-12/h5,7-8,13,15H,2-4,6,9-10H2,1H3/t13-,15+/m0/s1
InChIKeyFMLSROHHIGTCHY-DZGCQCFKSA-N
MW264.32 g/mol
LogP2.00
Rot. Bonds5

About Kcg 10

Kcg 10 (PubChem CID 126849) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl acetate.

Molecular Properties

Compound NameKcg 10
PubChem CID126849
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C(=O)C=C[C@H](O1)CC2=CCCCC2
InChIInChI=1S/C15H20O4/c1-11(16)18-10-15-14(17)8-7-13(19-15)9-12-5-3-2-4-6-12/h5,7-8,13,15H,2-4,6,9-10H2,1H3/t13-,15+/m0/s1
InChIKeyFMLSROHHIGTCHY-DZGCQCFKSA-N
XLogP2.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity408

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,6R)-2-(2-methylcyclohex-2-en-1-yl)-5-oxo-2H-pyran-6-yl]methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 44376036
[(2S)-5-oxo-2H-pyran-2-yl]methyl octanoate
CID 145961807
Diacetyldihydroterrein
CID 11746725
2-(cyclohexen-1-ylmethyl)-2H-pyran-5-one
CID 44351571
[(2S,6R)-2-(2-methylcyclohex-2-en-1-yl)-5-oxo-2H-pyran-6-yl]methyl butanoate
CID 44376021
[(2S,6R)-2-(2-methylcyclohex-2-en-1-yl)-5-oxo-2H-pyran-6-yl]methyl acetate
CID 44376039
[(2S,6R)-2-(2-methylcyclohex-2-en-1-yl)-5-oxo-2H-pyran-6-yl]methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 44376052
[(2S,6R)-2-(2-methylcyclohex-2-en-1-yl)-5-oxo-2H-pyran-6-yl]methyl (Z)-octadec-9-enoate
CID 44376078
[(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl (Z)-octadec-9-enoate
CID 44376218
[(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 44376482
[(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl butanoate
CID 44376483
[(2S,6R)-2-decoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305271

Frequently Asked Questions

What is the IUPAC name of Kcg 10?
The IUPAC name of Kcg 10 (CID 126849) is [(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl acetate.
What is the SMILES notation for Kcg 10?
The canonical SMILES for Kcg 10 is CC(=O)OC[C@@H]1C(=O)C=C[C@H](O1)CC2=CCCCC2.
What is the InChIKey of Kcg 10?
The InChIKey is FMLSROHHIGTCHY-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(16)18-10-15-14(17)8-7-13(19-15)9-12-5-3-2-4-6-12/h5,7-8,13,15H,2-4,6,9-10H2,1H3/t13-,15+/m0/s1.
What are the key properties of Kcg 10?
Kcg 10 has a molecular weight of 264.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Kcg 10 is sourced from PubChem (CID 126849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).