1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane

C18H34Cl2O2 — CID 150651579

IUPAC1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane
SMILESCCCCCCCCC(C1CC1(Cl)Cl)C(C)(OCC)OCC
InChIInChI=1S/C18H34Cl2O2/c1-5-8-9-10-11-12-13-15(16-14-18(16,19)20)17(4,21-6-2)22-7-3/h15-16H,5-14H2,1-4H3
InChIKeyJBZDHCXRBCXIOY-UHFFFAOYSA-N
MW353.37 g/mol
LogP6.34
Rot. Bonds13

About 1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane

1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane (PubChem CID 150651579) has the molecular formula C18H34Cl2O2 and a molecular weight of 353.37 g/mol. Its IUPAC name is 1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane
PubChem CID150651579
Molecular FormulaC18H34Cl2O2
Molecular Weight353.37 g/mol
Exact Mass352.19
IUPAC Name1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane
SMILESCCCCCCCCC(C1CC1(Cl)Cl)C(C)(OCC)OCC
InChIInChI=1S/C18H34Cl2O2/c1-5-8-9-10-11-12-13-15(16-14-18(16,19)20)17(4,21-6-2)22-7-3/h15-16H,5-14H2,1-4H3
InChIKeyJBZDHCXRBCXIOY-UHFFFAOYSA-N
XLogP6.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.37
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane 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

2-[5-(1,1-diethoxyethyl)tridecyl]oxirane
CID 151153134
3-[4-(1,1-diethoxyethyl)dodecyl]-3-methyloxetane
CID 150046806
2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine
CID 150210184
2-ethoxy-2-methylundecan-3-amine
CID 116726130
1,1,1-tripropoxydecan-2-ylcyclopropane
CID 151363480
(2-chloro-2-methylnonadecan-3-yl)cyclohexane
CID 70371697
(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene
CID 151908395
4-[4-(1,1-diethoxyethyl)dodecyl]morpholine
CID 150051536
1,1-dichloro-2-octylcyclopropane
CID 10799099
2,2-diethoxy-3-(2-methoxyethyl)undecane;prop-1-ene
CID 157221541
(2-ethoxy-2-methyldodecan-3-yl)hydrazine
CID 105274061

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane?
The IUPAC name of 1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane (CID 150651579) is 1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane.
What is the SMILES notation for 1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane?
The canonical SMILES for 1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane is CCCCCCCCC(C1CC1(Cl)Cl)C(C)(OCC)OCC.
What is the InChIKey of 1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane?
The InChIKey is JBZDHCXRBCXIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34Cl2O2/c1-5-8-9-10-11-12-13-15(16-14-18(16,19)20)17(4,21-6-2)22-7-3/h15-16H,5-14H2,1-4H3.
What are the key properties of 1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane?
1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane has a molecular weight of 353.37 g/mol, XLogP of 6.34, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-(2,2-diethoxyundecan-3-yl)cyclopropane is sourced from PubChem (CID 150651579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).