CID 59960552

C9H14 — CID 59960552

IUPAC—
SMILES[CH]CCC(C[CH])CC[CH]
InChIInChI=1S/C9H14/c1-4-7-9(6-3)8-5-2/h1-3,9H,4-8H2
InChIKeyJMJPAMJMRHHUTO-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.69
Rot. Bonds5

About CID 59960552

CID 59960552 (PubChem CID 59960552) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol.

Molecular Properties

Compound NameCID 59960552
PubChem CID59960552
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name—
SMILES[CH]CCC(C[CH])CC[CH]
InChIInChI=1S/C9H14/c1-4-7-9(6-3)8-5-2/h1-3,9H,4-8H2
InChIKeyJMJPAMJMRHHUTO-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59960552?
The IUPAC name of CID 59960552 (CID 59960552) is not available.
What is the SMILES notation for CID 59960552?
The canonical SMILES for CID 59960552 is [CH]CCC(C[CH])CC[CH].
What is the InChIKey of CID 59960552?
The InChIKey is JMJPAMJMRHHUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-4-7-9(6-3)8-5-2/h1-3,9H,4-8H2.
What are the key properties of CID 59960552?
CID 59960552 has a molecular weight of 122.21 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59960552 is sourced from PubChem (CID 59960552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).