ethene;hexan-1-ol

C8H18O — CID 88694978

IUPACethene;hexan-1-ol
SMILESC=C.CCCCCCO
InChIInChI=1S/C6H14O.C2H4/c1-2-3-4-5-6-7;1-2/h7H,2-6H2,1H3;1-2H2
InChIKeyGIXCFDIGLQADGF-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.36
Rot. Bonds4

About ethene;hexan-1-ol

ethene;hexan-1-ol (PubChem CID 88694978) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is ethene;hexan-1-ol.

Molecular Properties

Compound Nameethene;hexan-1-ol
PubChem CID88694978
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Nameethene;hexan-1-ol
SMILESC=C.CCCCCCO
InChIInChI=1S/C6H14O.C2H4/c1-2-3-4-5-6-7;1-2/h7H,2-6H2,1H3;1-2H2
InChIKeyGIXCFDIGLQADGF-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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dohexacontan-1-ol
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dodecan-1-ol;tetradecan-1-ol
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decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151

Frequently Asked Questions

What is the IUPAC name of ethene;hexan-1-ol?
The IUPAC name of ethene;hexan-1-ol (CID 88694978) is ethene;hexan-1-ol.
What is the SMILES notation for ethene;hexan-1-ol?
The canonical SMILES for ethene;hexan-1-ol is C=C.CCCCCCO.
What is the InChIKey of ethene;hexan-1-ol?
The InChIKey is GIXCFDIGLQADGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C2H4/c1-2-3-4-5-6-7;1-2/h7H,2-6H2,1H3;1-2H2.
What are the key properties of ethene;hexan-1-ol?
ethene;hexan-1-ol has a molecular weight of 130.23 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;hexan-1-ol is sourced from PubChem (CID 88694978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).