4-chloro-3-ethyl-1-propoxypentane

C10H21ClO — CID 106455983

IUPAC4-chloro-3-ethyl-1-propoxypentane
SMILESCCCOCCC(CC)C(C)Cl
InChIInChI=1S/C10H21ClO/c1-4-7-12-8-6-10(5-2)9(3)11/h9-10H,4-8H2,1-3H3
InChIKeyOVPIWDODBNGXKI-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.46
Rot. Bonds7

About 4-chloro-3-ethyl-1-propoxypentane

4-chloro-3-ethyl-1-propoxypentane (PubChem CID 106455983) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1-propoxypentane.

Molecular Properties

Compound Name4-chloro-3-ethyl-1-propoxypentane
PubChem CID106455983
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name4-chloro-3-ethyl-1-propoxypentane
SMILESCCCOCCC(CC)C(C)Cl
InChIInChI=1S/C10H21ClO/c1-4-7-12-8-6-10(5-2)9(3)11/h9-10H,4-8H2,1-3H3
InChIKeyOVPIWDODBNGXKI-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.46
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

3-methyl-1-propoxypentane
CID 123388243
5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane
CID 103411865
4-ethyl-N-methyl-1-propoxyhexan-3-amine
CID 105168465
1,2-dichloro-4-propoxybutane
CID 57016646
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
N,N-dimethyl-4-propoxybutan-2-amine
CID 57318185
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
3-ethoxy-1-propoxybutane
CID 89015567
4-propoxybutan-2-ylhydrazine
CID 105282576
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-butoxy-1-propoxybutane
CID 57175368

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-1-propoxypentane?
The IUPAC name of 4-chloro-3-ethyl-1-propoxypentane (CID 106455983) is 4-chloro-3-ethyl-1-propoxypentane.
What is the SMILES notation for 4-chloro-3-ethyl-1-propoxypentane?
The canonical SMILES for 4-chloro-3-ethyl-1-propoxypentane is CCCOCCC(CC)C(C)Cl.
What is the InChIKey of 4-chloro-3-ethyl-1-propoxypentane?
The InChIKey is OVPIWDODBNGXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-4-7-12-8-6-10(5-2)9(3)11/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-chloro-3-ethyl-1-propoxypentane?
4-chloro-3-ethyl-1-propoxypentane has a molecular weight of 192.73 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1-propoxypentane is sourced from PubChem (CID 106455983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).