3-(3-chloropentyl)oxane

C10H19ClO — CID 107137866

IUPAC3-(3-chloropentyl)oxane
SMILESCCC(Cl)CCC1CCCOC1
InChIInChI=1S/C10H19ClO/c1-2-10(11)6-5-9-4-3-7-12-8-9/h9-10H,2-8H2,1H3
InChIKeyVTLWVXYRNBPDRA-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.21
Rot. Bonds4

About 3-(3-chloropentyl)oxane

3-(3-chloropentyl)oxane (PubChem CID 107137866) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 3-(3-chloropentyl)oxane.

Molecular Properties

Compound Name3-(3-chloropentyl)oxane
PubChem CID107137866
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name3-(3-chloropentyl)oxane
SMILESCCC(Cl)CCC1CCCOC1
InChIInChI=1S/C10H19ClO/c1-2-10(11)6-5-9-4-3-7-12-8-9/h9-10H,2-8H2,1H3
InChIKeyVTLWVXYRNBPDRA-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.21
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-(2-chloroethyl)oxane
CID 64867917
3-octyloxane
CID 69236112
N-ethyl-2-(oxan-3-yl)ethanamine
CID 64866831
3-[2-methyl-4-(oxan-4-yl)butyl]oxane
CID 173376707
4-(3-chlorohexyl)oxane
CID 62384630
2-ethyl-5-[2-(oxan-3-yl)ethyl]oxane
CID 153020675
N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine
CID 107137812
3-[(3R)-oxan-3-yl]propane-1-thiol
CID 142369160
CID 59269410
CID 59269410
1-(oxan-3-yl)propan-2-amine
CID 63737520
3-(2-bromopropyl)oxane
CID 164664099
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropentyl)oxane?
The IUPAC name of 3-(3-chloropentyl)oxane (CID 107137866) is 3-(3-chloropentyl)oxane.
What is the SMILES notation for 3-(3-chloropentyl)oxane?
The canonical SMILES for 3-(3-chloropentyl)oxane is CCC(Cl)CCC1CCCOC1.
What is the InChIKey of 3-(3-chloropentyl)oxane?
The InChIKey is VTLWVXYRNBPDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-2-10(11)6-5-9-4-3-7-12-8-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-(3-chloropentyl)oxane?
3-(3-chloropentyl)oxane has a molecular weight of 190.71 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropentyl)oxane is sourced from PubChem (CID 107137866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).