CID 59303707

C8H12O2 — CID 59303707

IUPAC—
SMILES[CH]C(=O)CC1CCOCC1
InChIInChI=1S/C8H12O2/c1-7(9)6-8-2-4-10-5-3-8/h1,8H,2-6H2
InChIKeyYNALDXGQACUONY-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.08
Rot. Bonds2

About CID 59303707

CID 59303707 (PubChem CID 59303707) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol.

Molecular Properties

Compound NameCID 59303707
PubChem CID59303707
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name—
SMILES[CH]C(=O)CC1CCOCC1
InChIInChI=1S/C8H12O2/c1-7(9)6-8-2-4-10-5-3-8/h1,8H,2-6H2
InChIKeyYNALDXGQACUONY-UHFFFAOYSA-N
XLogP1.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59303707?
The IUPAC name of CID 59303707 (CID 59303707) is not available.
What is the SMILES notation for CID 59303707?
The canonical SMILES for CID 59303707 is [CH]C(=O)CC1CCOCC1.
What is the InChIKey of CID 59303707?
The InChIKey is YNALDXGQACUONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(9)6-8-2-4-10-5-3-8/h1,8H,2-6H2.
What are the key properties of CID 59303707?
CID 59303707 has a molecular weight of 140.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303707 is sourced from PubChem (CID 59303707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).