CID 58871084

C9H16O2 — CID 58871084

IUPAC—
SMILES[CH]OCCC(CC)CCO[CH]
InChIInChI=1S/C9H16O2/c1-4-9(5-7-10-2)6-8-11-3/h2-3,9H,4-8H2,1H3
InChIKeyWIFMIRTUMWCLCZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP2.16
Rot. Bonds7

About CID 58871084

CID 58871084 (PubChem CID 58871084) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol.

Molecular Properties

Compound NameCID 58871084
PubChem CID58871084
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name—
SMILES[CH]OCCC(CC)CCO[CH]
InChIInChI=1S/C9H16O2/c1-4-9(5-7-10-2)6-8-11-3/h2-3,9H,4-8H2,1H3
InChIKeyWIFMIRTUMWCLCZ-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58871084?
The IUPAC name of CID 58871084 (CID 58871084) is not available.
What is the SMILES notation for CID 58871084?
The canonical SMILES for CID 58871084 is [CH]OCCC(CC)CCO[CH].
What is the InChIKey of CID 58871084?
The InChIKey is WIFMIRTUMWCLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(5-7-10-2)6-8-11-3/h2-3,9H,4-8H2,1H3.
What are the key properties of CID 58871084?
CID 58871084 has a molecular weight of 156.23 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58871084 is sourced from PubChem (CID 58871084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).