methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one

C11H22O2 — CID 142033717

IUPACmethane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one
SMILESC.CC(C)=O.C[C@@H]1CCC(C=O)C1
InChIInChI=1S/C7H12O.C3H6O.CH4/c1-6-2-3-7(4-6)5-8;1-3(2)4;/h5-7H,2-4H2,1H3;1-2H3;1H4/t6-,7?;;/m1../s1
InChIKeyTVEWDHXXIICDOV-DKPBNVODSA-N
MW186.30 g/mol
LogP2.85
Rot. Bonds1

About methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one

methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one (PubChem CID 142033717) has the molecular formula C11H22O2 and a molecular weight of 186.30 g/mol. Its IUPAC name is methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one.

Molecular Properties

Compound Namemethane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one
PubChem CID142033717
Molecular FormulaC11H22O2
Molecular Weight186.30 g/mol
Exact Mass186.16
IUPAC Namemethane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one
SMILESC.CC(C)=O.C[C@@H]1CCC(C=O)C1
InChIInChI=1S/C7H12O.C3H6O.CH4/c1-6-2-3-7(4-6)5-8;1-3(2)4;/h5-7H,2-4H2,1H3;1-2H3;1H4/t6-,7?;;/m1../s1
InChIKeyTVEWDHXXIICDOV-DKPBNVODSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-methylcyclopentane-1-carbaldehyde
CID 59953230
2-acetyl-5-methylcyclohexane-1-carbaldehyde
CID 89425766
ethyl (E)-2-methyl-3-(3-methylcyclopentyl)prop-2-enoate
CID 168818421
4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carbaldehyde
CID 154525010
isocyanic acid;3-methylcyclohexane-1-carbaldehyde
CID 174560821
methoxymethane;methylcyclopropane;propane;propan-2-one
CID 158263455
4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 88960002
tert-butyl 5-formyl-2-methylcycloheptane-1-carboxylate
CID 123198778
methane;(5-methyl-2-propan-2-ylcyclohexyl) acetate
CID 157342153
3-(2,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
CID 88851773
4-[6-(2,4-dimethylcyclohexyl)hexyl]cyclohexane-1-carbaldehyde
CID 88959788
formic acid;1-methoxybutane;4-methylcyclohexane-1-carbaldehyde
CID 145295202

Frequently Asked Questions

What is the IUPAC name of methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one?
The IUPAC name of methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one (CID 142033717) is methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one.
What is the SMILES notation for methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one?
The canonical SMILES for methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one is C.CC(C)=O.C[C@@H]1CCC(C=O)C1.
What is the InChIKey of methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one?
The InChIKey is TVEWDHXXIICDOV-DKPBNVODSA-N. The full InChI is InChI=1S/C7H12O.C3H6O.CH4/c1-6-2-3-7(4-6)5-8;1-3(2)4;/h5-7H,2-4H2,1H3;1-2H3;1H4/t6-,7?;;/m1../s1.
What are the key properties of methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one?
methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one has a molecular weight of 186.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3R)-3-methylcyclopentane-1-carbaldehyde;propan-2-one is sourced from PubChem (CID 142033717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).