CID 134865379

C12H18O3 — CID 134865379

IUPAC—
SMILESCCOC(=O)[C]C[C@@]1(C)CCCC(=O)C1
InChIInChI=1S/C12H18O3/c1-3-15-11(14)6-8-12(2)7-4-5-10(13)9-12/h3-5,7-9H2,1-2H3/t12-/m1/s1
InChIKeyDLXVAQKPXHECMC-GFCCVEGCSA-N
MW210.27 g/mol
LogP2.17
Rot. Bonds4

About CID 134865379

CID 134865379 (PubChem CID 134865379) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol.

Molecular Properties

Compound NameCID 134865379
PubChem CID134865379
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name—
SMILESCCOC(=O)[C]C[C@@]1(C)CCCC(=O)C1
InChIInChI=1S/C12H18O3/c1-3-15-11(14)6-8-12(2)7-4-5-10(13)9-12/h3-5,7-9H2,1-2H3/t12-/m1/s1
InChIKeyDLXVAQKPXHECMC-GFCCVEGCSA-N
XLogP2.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-3-propylcyclohexan-1-one
CID 131183126
diethyl 2-methyl-2-(1-methyl-3-oxocyclohexyl)propanedioate
CID 13149432
ethyl 2-methyl-2-(1-methyl-3-oxocyclododecyl)propanoate
CID 11130713
ethyl 2-methyl-2-(1-methyl-3-oxocyclopentadecyl)propanoate
CID 102070372
(3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one
CID 159087738
ethyl 4-ethoxycarbothioylsulfanyl-5-(1-methyl-3-oxocyclohexyl)-2-methylsulfinylpentanoate
CID 57325627
methyl 1-ethyl-3-oxocyclohexane-1-carboxylate
CID 19899040
methyl (1S)-1-ethyl-3-oxocyclohexane-1-carboxylate
CID 102477472
ethyl 1-methyl-2-oxocyclopentane-1-carboxylate;iodomethane
CID 91535747
methyl (1R)-1-methyl-3-oxocyclohexane-1-carboxylate
CID 12576327
ethyl 7-(6-methyl-7-oxo-1,4-dioxaspiro[4.5]decan-6-yl)hept-2-ynoate
CID 134834195
3,3-dimethylcycloheptan-1-one
CID 12702041

Frequently Asked Questions

What is the IUPAC name of CID 134865379?
The IUPAC name of CID 134865379 (CID 134865379) is not available.
What is the SMILES notation for CID 134865379?
The canonical SMILES for CID 134865379 is CCOC(=O)[C]C[C@@]1(C)CCCC(=O)C1.
What is the InChIKey of CID 134865379?
The InChIKey is DLXVAQKPXHECMC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-15-11(14)6-8-12(2)7-4-5-10(13)9-12/h3-5,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of CID 134865379?
CID 134865379 has a molecular weight of 210.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134865379 is sourced from PubChem (CID 134865379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).