CID 5463794

C8H17O — CID 5463794

IUPAC—
SMILESCCCCC(CC)C[O]
InChIInChI=1S/C8H17O/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKeyVWZKHKRVSXWHAC-UHFFFAOYSA-N
MW129.22 g/mol
LogP2.63
Rot. Bonds5

About CID 5463794

CID 5463794 (PubChem CID 5463794) has the molecular formula C8H17O and a molecular weight of 129.22 g/mol.

Molecular Properties

Compound NameCID 5463794
PubChem CID5463794
Molecular FormulaC8H17O
Molecular Weight129.22 g/mol
Exact Mass129.13
IUPAC Name—
SMILESCCCCC(CC)C[O]
InChIInChI=1S/C8H17O/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKeyVWZKHKRVSXWHAC-UHFFFAOYSA-N
XLogP2.63
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Ethylhexanol
CID 7720
3,7-Dimethyl-1-octanol
CID 7792
2-Ethyl-1,3-Hexanediol
CID 7211
3,5,5-Trimethyl-1-hexanol
CID 18938
2-Butyl-1-octanol
CID 19800
Isooctan-1-ol
CID 15450
4-Methylcyclohexanemethanol
CID 118193
2-Butyl-2-ethyl-1,3-propanediol
CID 61038
2-Octyldodecanol
CID 21414
2-Methyloctanol
CID 102495
2-Ethyl-4-methylpentanol
CID 7821
2-Cyclohexylethanol
CID 20508

Frequently Asked Questions

What is the IUPAC name of CID 5463794?
The IUPAC name of CID 5463794 (CID 5463794) is not available.
What is the SMILES notation for CID 5463794?
The canonical SMILES for CID 5463794 is CCCCC(CC)C[O].
What is the InChIKey of CID 5463794?
The InChIKey is VWZKHKRVSXWHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3.
What are the key properties of CID 5463794?
CID 5463794 has a molecular weight of 129.22 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5463794 is sourced from PubChem (CID 5463794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).