ethenol;hexane

C8H18O — CID 22706833

IUPACethenol;hexane
SMILESC=CO.CCCCCC
InChIInChI=1S/C6H14.C2H4O/c1-3-5-6-4-2;1-2-3/h3-6H2,1-2H3;2-3H,1H2
InChIKeyHWRLTLBALUHJRQ-UHFFFAOYSA-N
MW130.23 g/mol
LogP3.27
Rot. Bonds3

About ethenol;hexane

ethenol;hexane (PubChem CID 22706833) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is ethenol;hexane.

Molecular Properties

Compound Nameethenol;hexane
PubChem CID22706833
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Nameethenol;hexane
SMILESC=CO.CCCCCC
InChIInChI=1S/C6H14.C2H4O/c1-3-5-6-4-2;1-2-3/h3-6H2,1-2H3;2-3H,1H2
InChIKeyHWRLTLBALUHJRQ-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
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'}

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Related Compounds

ethenol;heptadecane
CID 158851930
butan-1-ol;ethenol
CID 174734131
1-bromoheptane;ethenol
CID 171626967
hexane;propane;prop-1-ene
CID 143913803
ethenol;octadecanoic acid
CID 87216470
ethane;prop-1-ene;undecane
CID 171541850
ethenoxyethene;hexane;methanol
CID 174389238
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
decane;pentan-1-ol;prop-1-ene
CID 174418987
heptadecane;prop-2-enoic acid
CID 158681422

Frequently Asked Questions

What is the IUPAC name of ethenol;hexane?
The IUPAC name of ethenol;hexane (CID 22706833) is ethenol;hexane.
What is the SMILES notation for ethenol;hexane?
The canonical SMILES for ethenol;hexane is C=CO.CCCCCC.
What is the InChIKey of ethenol;hexane?
The InChIKey is HWRLTLBALUHJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C2H4O/c1-3-5-6-4-2;1-2-3/h3-6H2,1-2H3;2-3H,1H2.
What are the key properties of ethenol;hexane?
ethenol;hexane has a molecular weight of 130.23 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;hexane is sourced from PubChem (CID 22706833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).