butan-1-ol;chloroethene

C6H13ClO — CID 174931728

IUPACbutan-1-ol;chloroethene
SMILESC=CCl.CCCCO
InChIInChI=1S/C4H10O.C2H3Cl/c1-2-3-4-5;1-2-3/h5H,2-4H2,1H3;2H,1H2
InChIKeyJWOXMGHFGUCWSV-UHFFFAOYSA-N
MW136.62 g/mol
LogP2.15
Rot. Bonds2

About butan-1-ol;chloroethene

butan-1-ol;chloroethene (PubChem CID 174931728) has the molecular formula C6H13ClO and a molecular weight of 136.62 g/mol. Its IUPAC name is butan-1-ol;chloroethene.

Molecular Properties

Compound Namebutan-1-ol;chloroethene
PubChem CID174931728
Molecular FormulaC6H13ClO
Molecular Weight136.62 g/mol
Exact Mass136.07
IUPAC Namebutan-1-ol;chloroethene
SMILESC=CCl.CCCCO
InChIInChI=1S/C4H10O.C2H3Cl/c1-2-3-4-5;1-2-3/h5H,2-4H2,1H3;2H,1H2
InChIKeyJWOXMGHFGUCWSV-UHFFFAOYSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.62
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;chloroethene?
The IUPAC name of butan-1-ol;chloroethene (CID 174931728) is butan-1-ol;chloroethene.
What is the SMILES notation for butan-1-ol;chloroethene?
The canonical SMILES for butan-1-ol;chloroethene is C=CCl.CCCCO.
What is the InChIKey of butan-1-ol;chloroethene?
The InChIKey is JWOXMGHFGUCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H3Cl/c1-2-3-4-5;1-2-3/h5H,2-4H2,1H3;2H,1H2.
What are the key properties of butan-1-ol;chloroethene?
butan-1-ol;chloroethene has a molecular weight of 136.62 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;chloroethene is sourced from PubChem (CID 174931728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).