1-chloro-3-propoxycyclobutane

C7H13ClO — CID 66344084

IUPAC1-chloro-3-propoxycyclobutane
SMILESCCCOC1CC(Cl)C1
InChIInChI=1S/C7H13ClO/c1-2-3-9-7-4-6(8)5-7/h6-7H,2-5H2,1H3
InChIKeyZWAWGYBQBJPZBA-UHFFFAOYSA-N
MW148.63 g/mol
LogP2.18
Rot. Bonds3

About 1-chloro-3-propoxycyclobutane

1-chloro-3-propoxycyclobutane (PubChem CID 66344084) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 1-chloro-3-propoxycyclobutane.

Molecular Properties

Compound Name1-chloro-3-propoxycyclobutane
PubChem CID66344084
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name1-chloro-3-propoxycyclobutane
SMILESCCCOC1CC(Cl)C1
InChIInChI=1S/C7H13ClO/c1-2-3-9-7-4-6(8)5-7/h6-7H,2-5H2,1H3
InChIKeyZWAWGYBQBJPZBA-UHFFFAOYSA-N
XLogP2.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-propoxycyclobutan-1-ol
CID 66343734
cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol
CID 92538664
4-propoxycyclohexane-1-carbonyl chloride
CID 13343846
1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane
CID 103408042
propoxycyclooctane
CID 54078990
(2S,4R)-2-ethyl-4-propoxypyrrolidine
CID 99994381
1-chloro-3-methoxycyclobutane
CID 66345507
1-chloro-3-octoxy-2-propoxycyclobutane
CID 107942863
(2S,4S)-4-propoxypyrrolidine-2-carboxylic acid
CID 45116070
2-propoxycyclopropan-1-ol
CID 174614862
N-methyl-3-propoxycyclohexan-1-amine
CID 79618240
1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole
CID 171567501

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propoxycyclobutane?
The IUPAC name of 1-chloro-3-propoxycyclobutane (CID 66344084) is 1-chloro-3-propoxycyclobutane.
What is the SMILES notation for 1-chloro-3-propoxycyclobutane?
The canonical SMILES for 1-chloro-3-propoxycyclobutane is CCCOC1CC(Cl)C1.
What is the InChIKey of 1-chloro-3-propoxycyclobutane?
The InChIKey is ZWAWGYBQBJPZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO/c1-2-3-9-7-4-6(8)5-7/h6-7H,2-5H2,1H3.
What are the key properties of 1-chloro-3-propoxycyclobutane?
1-chloro-3-propoxycyclobutane has a molecular weight of 148.63 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propoxycyclobutane is sourced from PubChem (CID 66344084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).