CID 59707573

C8H17O — CID 59707573

IUPAC—
SMILES[CH2]CCC(C)CCCO
InChIInChI=1S/C8H17O/c1-3-5-8(2)6-4-7-9/h8-9H,1,3-7H2,2H3
InChIKeyZAQABJSLZAMSBK-UHFFFAOYSA-N
MW129.22 g/mol
LogP2.01
Rot. Bonds5

About CID 59707573

CID 59707573 (PubChem CID 59707573) has the molecular formula C8H17O and a molecular weight of 129.22 g/mol.

Molecular Properties

Compound NameCID 59707573
PubChem CID59707573
Molecular FormulaC8H17O
Molecular Weight129.22 g/mol
Exact Mass129.13
IUPAC Name—
SMILES[CH2]CCC(C)CCCO
InChIInChI=1S/C8H17O/c1-3-5-8(2)6-4-7-9/h8-9H,1,3-7H2,2H3
InChIKeyZAQABJSLZAMSBK-UHFFFAOYSA-N
XLogP2.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(4R,8S)-4,8-dimethyldecan-1-ol
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4,7-dimethylnonan-1-ol
CID 87272409
8,12-dimethylicosane-1,20-diol
CID 170848864
4-methyloctan-1-ol;propan-2-ol
CID 18620283
3-methyldecane-1,10-diol
CID 22596513
(4S,6S)-4,6,9-trimethyloctadecane-1,18-diol
CID 58388501
(5S)-5-methyloctan-1-ol
CID 14902476
2,4-dimethylheptane-1,7-diol
CID 175358767
(4S,6S)-4,6-dimethyloctan-1-ol
CID 92950690
10-methylhexadecan-1-ol
CID 10244159
(5S)-7-chloro-5-methylheptan-1-ol
CID 139766924

Frequently Asked Questions

What is the IUPAC name of CID 59707573?
The IUPAC name of CID 59707573 (CID 59707573) is not available.
What is the SMILES notation for CID 59707573?
The canonical SMILES for CID 59707573 is [CH2]CCC(C)CCCO.
What is the InChIKey of CID 59707573?
The InChIKey is ZAQABJSLZAMSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O/c1-3-5-8(2)6-4-7-9/h8-9H,1,3-7H2,2H3.
What are the key properties of CID 59707573?
CID 59707573 has a molecular weight of 129.22 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59707573 is sourced from PubChem (CID 59707573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).