4-(cyclopropylmethoxymethoxy)cyclohexan-1-one

C11H18O3 — CID 106929555

IUPAC4-(cyclopropylmethoxymethoxy)cyclohexan-1-one
SMILESO=C1CCC(OCOCC2CC2)CC1
InChIInChI=1S/C11H18O3/c12-10-3-5-11(6-4-10)14-8-13-7-9-1-2-9/h9,11H,1-8H2
InChIKeyHQYYULYSNFNGKD-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.90
Rot. Bonds5

About 4-(cyclopropylmethoxymethoxy)cyclohexan-1-one

4-(cyclopropylmethoxymethoxy)cyclohexan-1-one (PubChem CID 106929555) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethoxy)cyclohexan-1-one.

Molecular Properties

Compound Name4-(cyclopropylmethoxymethoxy)cyclohexan-1-one
PubChem CID106929555
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-(cyclopropylmethoxymethoxy)cyclohexan-1-one
SMILESO=C1CCC(OCOCC2CC2)CC1
InChIInChI=1S/C11H18O3/c12-10-3-5-11(6-4-10)14-8-13-7-9-1-2-9/h9,11H,1-8H2
InChIKeyHQYYULYSNFNGKD-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(cyclopropylmethoxymethoxy)cyclohexan-1-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

4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one
CID 140597292
4-(cyclopropylmethoxymethoxy)piperidine
CID 106937648
4-(cyclopropylmethoxy)cyclohexan-1-one;8-(cyclopropylmethoxy)-1,4-dioxaspiro[4.5]decane
CID 158473568
4-(prop-2-enoxymethyl)cyclohexan-1-one
CID 58548771
4-(3-oxoprop-2-enoxy)cyclohexan-1-one
CID 141286160
4-(2-methylprop-2-enoxy)cyclohexan-1-one
CID 18980421
1,4-bis(cyclopropylmethoxy)cyclohexane
CID 147967519
(4-oxocyclohexyl)methoxy thiohypoiodite
CID 143754074
cyclopropylmethoxymethylcyclopropane;hydron
CID 175036707
4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one
CID 130601097
4-(3-methylbut-3-enoxy)cyclohexan-1-one
CID 114472654
4-[(5,5-dimethyloxolan-2-yl)methoxy]cyclohexan-1-one
CID 116521902

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxymethoxy)cyclohexan-1-one?
The IUPAC name of 4-(cyclopropylmethoxymethoxy)cyclohexan-1-one (CID 106929555) is 4-(cyclopropylmethoxymethoxy)cyclohexan-1-one.
What is the SMILES notation for 4-(cyclopropylmethoxymethoxy)cyclohexan-1-one?
The canonical SMILES for 4-(cyclopropylmethoxymethoxy)cyclohexan-1-one is O=C1CCC(OCOCC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylmethoxymethoxy)cyclohexan-1-one?
The InChIKey is HQYYULYSNFNGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-10-3-5-11(6-4-10)14-8-13-7-9-1-2-9/h9,11H,1-8H2.
What are the key properties of 4-(cyclopropylmethoxymethoxy)cyclohexan-1-one?
4-(cyclopropylmethoxymethoxy)cyclohexan-1-one has a molecular weight of 198.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxymethoxy)cyclohexan-1-one is sourced from PubChem (CID 106929555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).