1-chloro-3-octoxy-2-propoxycyclobutane

C15H29ClO2 — CID 107942863

IUPAC1-chloro-3-octoxy-2-propoxycyclobutane
SMILESCCCCCCCCOC1CC(Cl)C1OCCC
InChIInChI=1S/C15H29ClO2/c1-3-5-6-7-8-9-11-17-14-12-13(16)15(14)18-10-4-2/h13-15H,3-12H2,1-2H3
InChIKeyAMOCAVIFXBXOJL-UHFFFAOYSA-N
MW276.85 g/mol
LogP4.54
Rot. Bonds11

About 1-chloro-3-octoxy-2-propoxycyclobutane

1-chloro-3-octoxy-2-propoxycyclobutane (PubChem CID 107942863) has the molecular formula C15H29ClO2 and a molecular weight of 276.85 g/mol. Its IUPAC name is 1-chloro-3-octoxy-2-propoxycyclobutane.

Molecular Properties

Compound Name1-chloro-3-octoxy-2-propoxycyclobutane
PubChem CID107942863
Molecular FormulaC15H29ClO2
Molecular Weight276.85 g/mol
Exact Mass276.19
IUPAC Name1-chloro-3-octoxy-2-propoxycyclobutane
SMILESCCCCCCCCOC1CC(Cl)C1OCCC
InChIInChI=1S/C15H29ClO2/c1-3-5-6-7-8-9-11-17-14-12-13(16)15(14)18-10-4-2/h13-15H,3-12H2,1-2H3
InChIKeyAMOCAVIFXBXOJL-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 54.54
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-pentoxy-2-propoxycyclobutane
CID 107942901
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
5-octadecoxybicyclo[2.2.1]heptan-2-ol
CID 173215531

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-octoxy-2-propoxycyclobutane?
The IUPAC name of 1-chloro-3-octoxy-2-propoxycyclobutane (CID 107942863) is 1-chloro-3-octoxy-2-propoxycyclobutane.
What is the SMILES notation for 1-chloro-3-octoxy-2-propoxycyclobutane?
The canonical SMILES for 1-chloro-3-octoxy-2-propoxycyclobutane is CCCCCCCCOC1CC(Cl)C1OCCC.
What is the InChIKey of 1-chloro-3-octoxy-2-propoxycyclobutane?
The InChIKey is AMOCAVIFXBXOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClO2/c1-3-5-6-7-8-9-11-17-14-12-13(16)15(14)18-10-4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-chloro-3-octoxy-2-propoxycyclobutane?
1-chloro-3-octoxy-2-propoxycyclobutane has a molecular weight of 276.85 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-octoxy-2-propoxycyclobutane is sourced from PubChem (CID 107942863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).