1-butoxy-2,2-dichloro-1-methylcyclopropane

C8H14Cl2O — CID 23262419

IUPAC1-butoxy-2,2-dichloro-1-methylcyclopropane
SMILESCCCCOC1(C)CC1(Cl)Cl
InChIInChI=1S/C8H14Cl2O/c1-3-4-5-11-7(2)6-8(7,9)10/h3-6H2,1-2H3
InChIKeyVHFSCVWVZSGOGH-UHFFFAOYSA-N
MW197.10 g/mol
LogP3.14
Rot. Bonds4

About 1-butoxy-2,2-dichloro-1-methylcyclopropane

1-butoxy-2,2-dichloro-1-methylcyclopropane (PubChem CID 23262419) has the molecular formula C8H14Cl2O and a molecular weight of 197.10 g/mol. Its IUPAC name is 1-butoxy-2,2-dichloro-1-methylcyclopropane.

Molecular Properties

Compound Name1-butoxy-2,2-dichloro-1-methylcyclopropane
PubChem CID23262419
Molecular FormulaC8H14Cl2O
Molecular Weight197.10 g/mol
Exact Mass196.04
IUPAC Name1-butoxy-2,2-dichloro-1-methylcyclopropane
SMILESCCCCOC1(C)CC1(Cl)Cl
InChIInChI=1S/C8H14Cl2O/c1-3-4-5-11-7(2)6-8(7,9)10/h3-6H2,1-2H3
InChIKeyVHFSCVWVZSGOGH-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.10
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-3,5,5-trimethyldioxolane
CID 71459280
1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane
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3-butoxy-3-methyldioxirane;titanium
CID 175327967
1,1-dibutoxycyclopentane
CID 18792031
1,1-dibutoxycyclooctane
CID 18791994
2-butoxy-1,1-dichlorocyclopropane
CID 26263
CID 58982303
CID 58982303
3-methyl-3-octoxyazetidine
CID 83065433
1-butylperoxybutane
CID 159275797
1-butylperoxybutane;cyclooctane
CID 140991302
[(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene
CID 102422403
2-butoxy-1,2-dichloro-1,3,5-triazine
CID 19024995

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,2-dichloro-1-methylcyclopropane?
The IUPAC name of 1-butoxy-2,2-dichloro-1-methylcyclopropane (CID 23262419) is 1-butoxy-2,2-dichloro-1-methylcyclopropane.
What is the SMILES notation for 1-butoxy-2,2-dichloro-1-methylcyclopropane?
The canonical SMILES for 1-butoxy-2,2-dichloro-1-methylcyclopropane is CCCCOC1(C)CC1(Cl)Cl.
What is the InChIKey of 1-butoxy-2,2-dichloro-1-methylcyclopropane?
The InChIKey is VHFSCVWVZSGOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O/c1-3-4-5-11-7(2)6-8(7,9)10/h3-6H2,1-2H3.
What are the key properties of 1-butoxy-2,2-dichloro-1-methylcyclopropane?
1-butoxy-2,2-dichloro-1-methylcyclopropane has a molecular weight of 197.10 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,2-dichloro-1-methylcyclopropane is sourced from PubChem (CID 23262419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).