1-(1-chloropropoxy)icosane

C23H47ClO — CID 139652082

IUPAC1-(1-chloropropoxy)icosane
SMILESCCCCCCCCCCCCCCCCCCCCOC(Cl)CC
InChIInChI=1S/C23H47ClO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(24)4-2/h23H,3-22H2,1-2H3
InChIKeyRJKWRRPHIKKYGD-UHFFFAOYSA-N
MW375.08 g/mol
LogP9.02
Rot. Bonds21

About 1-(1-chloropropoxy)icosane

1-(1-chloropropoxy)icosane (PubChem CID 139652082) has the molecular formula C23H47ClO and a molecular weight of 375.08 g/mol. Its IUPAC name is 1-(1-chloropropoxy)icosane.

Molecular Properties

Compound Name1-(1-chloropropoxy)icosane
PubChem CID139652082
Molecular FormulaC23H47ClO
Molecular Weight375.08 g/mol
Exact Mass374.33
IUPAC Name1-(1-chloropropoxy)icosane
SMILESCCCCCCCCCCCCCCCCCCCCOC(Cl)CC
InChIInChI=1S/C23H47ClO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(24)4-2/h23H,3-22H2,1-2H3
InChIKeyRJKWRRPHIKKYGD-UHFFFAOYSA-N
XLogP9.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.08
LogP ≤ 59.02
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

1-(1-chloro-2-methylbutoxy)octane
CID 23124320
1-pentan-3-yloxydecane
CID 173279604
4-chloro-4-pentoxybutan-2-ol
CID 88677691
1-(difluoromethoxy)decane
CID 14400535
1-(1-propoxypropoxy)hexane
CID 89482622
1-(1-chloro-2-methylpropoxy)pentane
CID 23124473
1-heptoxypropan-1-ol
CID 19598529
1-undecoxypropan-1-ol
CID 139971923
1-hexoxypropylsilane
CID 174351834
1-octoxypropylarsane
CID 173268691
icosoxymethanediol
CID 175975847
didodecoxymethylsilane
CID 172799979

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropropoxy)icosane?
The IUPAC name of 1-(1-chloropropoxy)icosane (CID 139652082) is 1-(1-chloropropoxy)icosane.
What is the SMILES notation for 1-(1-chloropropoxy)icosane?
The canonical SMILES for 1-(1-chloropropoxy)icosane is CCCCCCCCCCCCCCCCCCCCOC(Cl)CC.
What is the InChIKey of 1-(1-chloropropoxy)icosane?
The InChIKey is RJKWRRPHIKKYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47ClO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(24)4-2/h23H,3-22H2,1-2H3.
What are the key properties of 1-(1-chloropropoxy)icosane?
1-(1-chloropropoxy)icosane has a molecular weight of 375.08 g/mol, XLogP of 9.02, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropoxy)icosane is sourced from PubChem (CID 139652082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).