1-chloropentane;2-ethoxyprop-1-ene

C10H21ClO — CID 174939988

IUPAC1-chloropentane;2-ethoxyprop-1-ene
SMILESC=C(C)OCC.CCCCCCl
InChIInChI=1S/C5H11Cl.C5H10O/c1-2-3-4-5-6;1-4-6-5(2)3/h2-5H2,1H3;2,4H2,1,3H3
InChIKeyZOQRMQYJIRGPQR-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.97
Rot. Bonds5

About 1-chloropentane;2-ethoxyprop-1-ene

1-chloropentane;2-ethoxyprop-1-ene (PubChem CID 174939988) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 1-chloropentane;2-ethoxyprop-1-ene.

Molecular Properties

Compound Name1-chloropentane;2-ethoxyprop-1-ene
PubChem CID174939988
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name1-chloropentane;2-ethoxyprop-1-ene
SMILESC=C(C)OCC.CCCCCCl
InChIInChI=1S/C5H11Cl.C5H10O/c1-2-3-4-5-6;1-4-6-5(2)3/h2-5H2,1H3;2,4H2,1,3H3
InChIKeyZOQRMQYJIRGPQR-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloropentane;propan-2-one
CID 174417344
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;pentadecane
CID 174295582
acetyl acetate;1-chloropentane
CID 174369574
hexakis(dichloromethane);ethyl acetate;bis(hexane)
CID 173231857
1-chloropentane;3-ethoxy-3-oxopropanoic acid
CID 174303485
aminoazanium;1-chlorohexadecane
CID 20542976
1-chloropentane;ethane-1,2-diamine
CID 174805290

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;2-ethoxyprop-1-ene?
The IUPAC name of 1-chloropentane;2-ethoxyprop-1-ene (CID 174939988) is 1-chloropentane;2-ethoxyprop-1-ene.
What is the SMILES notation for 1-chloropentane;2-ethoxyprop-1-ene?
The canonical SMILES for 1-chloropentane;2-ethoxyprop-1-ene is C=C(C)OCC.CCCCCCl.
What is the InChIKey of 1-chloropentane;2-ethoxyprop-1-ene?
The InChIKey is ZOQRMQYJIRGPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.C5H10O/c1-2-3-4-5-6;1-4-6-5(2)3/h2-5H2,1H3;2,4H2,1,3H3.
What are the key properties of 1-chloropentane;2-ethoxyprop-1-ene?
1-chloropentane;2-ethoxyprop-1-ene has a molecular weight of 192.73 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;2-ethoxyprop-1-ene is sourced from PubChem (CID 174939988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).