CID 59953884

C7H14O2 — CID 59953884

IUPAC—
SMILES[CH]CCCCCOOC
InChIInChI=1S/C7H14O2/c1-3-4-5-6-7-9-8-2/h1H,3-7H2,2H3
InChIKeyCVQIRPNVCHYWFY-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.84
Rot. Bonds6

About CID 59953884

CID 59953884 (PubChem CID 59953884) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol.

Molecular Properties

Compound NameCID 59953884
PubChem CID59953884
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name—
SMILES[CH]CCCCCOOC
InChIInChI=1S/C7H14O2/c1-3-4-5-6-7-9-8-2/h1H,3-7H2,2H3
InChIKeyCVQIRPNVCHYWFY-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59953884?
The IUPAC name of CID 59953884 (CID 59953884) is not available.
What is the SMILES notation for CID 59953884?
The canonical SMILES for CID 59953884 is [CH]CCCCCOOC.
What is the InChIKey of CID 59953884?
The InChIKey is CVQIRPNVCHYWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-5-6-7-9-8-2/h1H,3-7H2,2H3.
What are the key properties of CID 59953884?
CID 59953884 has a molecular weight of 130.19 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59953884 is sourced from PubChem (CID 59953884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).