1-methoxypropoxymethylcyclohexane

C11H22O2 — CID 20748230

IUPAC1-methoxypropoxymethylcyclohexane
SMILESCCC(OC)OCC1CCCCC1
InChIInChI=1S/C11H22O2/c1-3-11(12-2)13-9-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3
InChIKeyZWPHMOUJGCZYJQ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.97
Rot. Bonds5

About 1-methoxypropoxymethylcyclohexane

1-methoxypropoxymethylcyclohexane (PubChem CID 20748230) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-methoxypropoxymethylcyclohexane.

Molecular Properties

Compound Name1-methoxypropoxymethylcyclohexane
PubChem CID20748230
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-methoxypropoxymethylcyclohexane
SMILESCCC(OC)OCC1CCCCC1
InChIInChI=1S/C11H22O2/c1-3-11(12-2)13-9-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3
InChIKeyZWPHMOUJGCZYJQ-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexylmethoxy)propan-1-amine
CID 123186405
2-(cyclohexylmethoxy)pentan-3-amine
CID 62383892
3-(cyclohexylmethoxy)-N-methylheptan-4-amine
CID 55066438
3,3-dimethoxypropylcyclopentane
CID 58449962
2-(cyclopentylmethoxy)butanoic acid
CID 66324485
(2R)-2-(cyclohexylmethoxy)pentan-3-one
CID 163532136
ethoxymethylcyclooctane
CID 70370569
1-butan-2-yl-4-[3,3-dicyclohexyl-1-(cyclohexylmethoxy)propoxy]benzene
CID 118048632
methyl (2S)-2-acetyloxy-2-(cyclohexylmethoxy)acetate
CID 101037730
N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine
CID 89099495
2-(cycloheptylmethoxy)-N-methylpropan-1-amine
CID 165349469
ethylcyclopentane;methoxymethylcyclopentane
CID 169258977

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropoxymethylcyclohexane?
The IUPAC name of 1-methoxypropoxymethylcyclohexane (CID 20748230) is 1-methoxypropoxymethylcyclohexane.
What is the SMILES notation for 1-methoxypropoxymethylcyclohexane?
The canonical SMILES for 1-methoxypropoxymethylcyclohexane is CCC(OC)OCC1CCCCC1.
What is the InChIKey of 1-methoxypropoxymethylcyclohexane?
The InChIKey is ZWPHMOUJGCZYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-11(12-2)13-9-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-methoxypropoxymethylcyclohexane?
1-methoxypropoxymethylcyclohexane has a molecular weight of 186.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropoxymethylcyclohexane is sourced from PubChem (CID 20748230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).