CID 59070037

C7H12O2 — CID 59070037

IUPAC—
SMILES[CH][C@](C)(C=O)CCOC
InChIInChI=1S/C7H12O2/c1-7(2,6-8)4-5-9-3/h1,6H,4-5H2,2-3H3/t7-/m1/s1
InChIKeyUUZYEHBUOMIPKV-SSDOTTSWSA-N
MW128.17 g/mol
LogP0.94
Rot. Bonds4

About CID 59070037

CID 59070037 (PubChem CID 59070037) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol.

Molecular Properties

Compound NameCID 59070037
PubChem CID59070037
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name—
SMILES[CH][C@](C)(C=O)CCOC
InChIInChI=1S/C7H12O2/c1-7(2,6-8)4-5-9-3/h1,6H,4-5H2,2-3H3/t7-/m1/s1
InChIKeyUUZYEHBUOMIPKV-SSDOTTSWSA-N
XLogP0.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 59070091
CID 59070091
CID 59070082
CID 59070082
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde
CID 166753432
1-methoxy-3,5-dimethylhex-4-en-3-ol
CID 79190335
tert-butyl formate;1,2-dimethoxyethane
CID 174865662
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
5-methoxy-3-methylpent-1-yn-3-ol
CID 13304240
3-methoxy-2-(methoxymethyl)-2-methylpropanal
CID 89202050
ethane;1-methoxy-3,3-dimethylheptane
CID 142973962
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
methyl 4-methoxy-2-methyl-2-(prop-2-ynylamino)butanoate
CID 62366335

Frequently Asked Questions

What is the IUPAC name of CID 59070037?
The IUPAC name of CID 59070037 (CID 59070037) is not available.
What is the SMILES notation for CID 59070037?
The canonical SMILES for CID 59070037 is [CH][C@](C)(C=O)CCOC.
What is the InChIKey of CID 59070037?
The InChIKey is UUZYEHBUOMIPKV-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12O2/c1-7(2,6-8)4-5-9-3/h1,6H,4-5H2,2-3H3/t7-/m1/s1.
What are the key properties of CID 59070037?
CID 59070037 has a molecular weight of 128.17 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59070037 is sourced from PubChem (CID 59070037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).