CID 59070082

C8H14O — CID 59070082

IUPAC—
SMILES[CH][C@](C)(C=O)CCCC
InChIInChI=1S/C8H14O/c1-4-5-6-8(2,3)7-9/h2,7H,4-6H2,1,3H3/t8-/m1/s1
InChIKeyUCVGJMIJLWKJLK-MRVPVSSYSA-N
MW126.20 g/mol
LogP2.09
Rot. Bonds4

About CID 59070082

CID 59070082 (PubChem CID 59070082) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol.

Molecular Properties

Compound NameCID 59070082
PubChem CID59070082
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name—
SMILES[CH][C@](C)(C=O)CCCC
InChIInChI=1S/C8H14O/c1-4-5-6-8(2,3)7-9/h2,7H,4-6H2,1,3H3/t8-/m1/s1
InChIKeyUCVGJMIJLWKJLK-MRVPVSSYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 59070091
CID 59070091
2,2-dibutylpropanedial
CID 15324202
2-methyl-2-sulfanylhexanal
CID 88843028
(2R)-2-amino-2-methylhexanal
CID 144823365
CID 59070037
CID 59070037
2-butyl-2-methoxypropanedial
CID 141040124
2-amino-2-ethylhexanal
CID 89415395
2-(cyclopropylmethyl)-2-methylhexanal
CID 141352242
2,2-dimethylhexane
CID 169424592
2-methyl-2-sulfanyldecanal
CID 154228508
N-(5-formylnonan-5-yl)formamide
CID 173139788
2-amino-2-methylundecanal
CID 175716419

Frequently Asked Questions

What is the IUPAC name of CID 59070082?
The IUPAC name of CID 59070082 (CID 59070082) is not available.
What is the SMILES notation for CID 59070082?
The canonical SMILES for CID 59070082 is [CH][C@](C)(C=O)CCCC.
What is the InChIKey of CID 59070082?
The InChIKey is UCVGJMIJLWKJLK-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-5-6-8(2,3)7-9/h2,7H,4-6H2,1,3H3/t8-/m1/s1.
What are the key properties of CID 59070082?
CID 59070082 has a molecular weight of 126.20 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59070082 is sourced from PubChem (CID 59070082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).