1-chloro-3-pentoxy-2-propoxycyclobutane

C12H23ClO2 — CID 107942901

IUPAC1-chloro-3-pentoxy-2-propoxycyclobutane
SMILESCCCCCOC1CC(Cl)C1OCCC
InChIInChI=1S/C12H23ClO2/c1-3-5-6-8-14-11-9-10(13)12(11)15-7-4-2/h10-12H,3-9H2,1-2H3
InChIKeyZQKAFYYOCLHWLG-UHFFFAOYSA-N
MW234.77 g/mol
LogP3.37
Rot. Bonds8

About 1-chloro-3-pentoxy-2-propoxycyclobutane

1-chloro-3-pentoxy-2-propoxycyclobutane (PubChem CID 107942901) has the molecular formula C12H23ClO2 and a molecular weight of 234.77 g/mol. Its IUPAC name is 1-chloro-3-pentoxy-2-propoxycyclobutane.

Molecular Properties

Compound Name1-chloro-3-pentoxy-2-propoxycyclobutane
PubChem CID107942901
Molecular FormulaC12H23ClO2
Molecular Weight234.77 g/mol
Exact Mass234.14
IUPAC Name1-chloro-3-pentoxy-2-propoxycyclobutane
SMILESCCCCCOC1CC(Cl)C1OCCC
InChIInChI=1S/C12H23ClO2/c1-3-5-6-8-14-11-9-10(13)12(11)15-7-4-2/h10-12H,3-9H2,1-2H3
InChIKeyZQKAFYYOCLHWLG-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 53.37
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'}

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Related Compounds

1-chloro-3-octoxy-2-propoxycyclobutane
CID 107942863
1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane
CID 106207219
1-chloro-3-(cyclopropylmethoxy)-2-propoxycyclobutane
CID 107942832
1-chloro-3-(2-ethylhexoxy)-2-propoxycyclobutane
CID 114018914
3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
CID 107943487
2-methoxy-3-pentoxycyclobutan-1-amine
CID 104674665
4-[(3-chloro-2-propoxycyclobutyl)oxymethyl]oxane
CID 107942979
1-(3-chloro-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 114018894
2-(3-chloro-2-propoxycyclobutyl)oxy-1,3,5-trimethylbenzene
CID 107942940
1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane
CID 104675611
1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane
CID 104675598
2-propoxycyclopropan-1-ol
CID 174614862

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-pentoxy-2-propoxycyclobutane?
The IUPAC name of 1-chloro-3-pentoxy-2-propoxycyclobutane (CID 107942901) is 1-chloro-3-pentoxy-2-propoxycyclobutane.
What is the SMILES notation for 1-chloro-3-pentoxy-2-propoxycyclobutane?
The canonical SMILES for 1-chloro-3-pentoxy-2-propoxycyclobutane is CCCCCOC1CC(Cl)C1OCCC.
What is the InChIKey of 1-chloro-3-pentoxy-2-propoxycyclobutane?
The InChIKey is ZQKAFYYOCLHWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO2/c1-3-5-6-8-14-11-9-10(13)12(11)15-7-4-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-chloro-3-pentoxy-2-propoxycyclobutane?
1-chloro-3-pentoxy-2-propoxycyclobutane has a molecular weight of 234.77 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-pentoxy-2-propoxycyclobutane is sourced from PubChem (CID 107942901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).