2-(3-methylcyclohexyl)oxyacetaldehyde;propane

C12H24O2 — CID 142809880

IUPAC2-(3-methylcyclohexyl)oxyacetaldehyde;propane
SMILESCC1CCCC(OCC=O)C1.CCC
InChIInChI=1S/C9H16O2.C3H8/c1-8-3-2-4-9(7-8)11-6-5-10;1-3-2/h5,8-9H,2-4,6-7H2,1H3;3H2,1-2H3
InChIKeyRMLWCWPMSDYRSP-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.20
Rot. Bonds3

About 2-(3-methylcyclohexyl)oxyacetaldehyde;propane

2-(3-methylcyclohexyl)oxyacetaldehyde;propane (PubChem CID 142809880) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxyacetaldehyde;propane.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxyacetaldehyde;propane
PubChem CID142809880
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-(3-methylcyclohexyl)oxyacetaldehyde;propane
SMILESCC1CCCC(OCC=O)C1.CCC
InChIInChI=1S/C9H16O2.C3H8/c1-8-3-2-4-9(7-8)11-6-5-10;1-3-2/h5,8-9H,2-4,6-7H2,1H3;3H2,1-2H3
InChIKeyRMLWCWPMSDYRSP-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-prop-2-enoxycyclohexane
CID 90739915
methyl 2-ethyl-4-(3-methylcyclohexyl)oxybut-2-enoate
CID 77100615
triethyl-[(3S)-3-methylcyclohexyl]oxysilane
CID 142748817
3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
CID 143832011
ethane;3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane;hydrate
CID 145159351
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
CID 104751838
2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79564056
N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97023264
(3-methylcyclohexyl) 2,3-dihydroxypropanoate;propane
CID 143971653
tert-butyl 2-ethyl-4-[(1S,3S)-3-(2-oxoethoxy)cyclohexyl]butanoate
CID 87856888
2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol
CID 81217769

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxyacetaldehyde;propane?
The IUPAC name of 2-(3-methylcyclohexyl)oxyacetaldehyde;propane (CID 142809880) is 2-(3-methylcyclohexyl)oxyacetaldehyde;propane.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxyacetaldehyde;propane?
The canonical SMILES for 2-(3-methylcyclohexyl)oxyacetaldehyde;propane is CC1CCCC(OCC=O)C1.CCC.
What is the InChIKey of 2-(3-methylcyclohexyl)oxyacetaldehyde;propane?
The InChIKey is RMLWCWPMSDYRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C3H8/c1-8-3-2-4-9(7-8)11-6-5-10;1-3-2/h5,8-9H,2-4,6-7H2,1H3;3H2,1-2H3.
What are the key properties of 2-(3-methylcyclohexyl)oxyacetaldehyde;propane?
2-(3-methylcyclohexyl)oxyacetaldehyde;propane has a molecular weight of 200.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxyacetaldehyde;propane is sourced from PubChem (CID 142809880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).