CID 159940559

C14H22Na — CID 159940559

IUPAC—
SMILESCCCCc1ccccc1CCCC.[Na]
InChIInChI=1S/C14H22.Na/c1-3-5-9-13-11-7-8-12-14(13)10-6-4-2;/h7-8,11-12H,3-6,9-10H2,1-2H3;
InChIKeyOAUZVIXINKUYRB-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.99
Rot. Bonds6

About CID 159940559

CID 159940559 (PubChem CID 159940559) has the molecular formula C14H22Na and a molecular weight of 213.32 g/mol.

Molecular Properties

Compound NameCID 159940559
PubChem CID159940559
Molecular FormulaC14H22Na
Molecular Weight213.32 g/mol
Exact Mass213.16
IUPAC Name—
SMILESCCCCc1ccccc1CCCC.[Na]
InChIInChI=1S/C14H22.Na/c1-3-5-9-13-11-7-8-12-14(13)10-6-4-2;/h7-8,11-12H,3-6,9-10H2,1-2H3;
InChIKeyOAUZVIXINKUYRB-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 159940559?
The IUPAC name of CID 159940559 (CID 159940559) is not available.
What is the SMILES notation for CID 159940559?
The canonical SMILES for CID 159940559 is CCCCc1ccccc1CCCC.[Na].
What is the InChIKey of CID 159940559?
The InChIKey is OAUZVIXINKUYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.Na/c1-3-5-9-13-11-7-8-12-14(13)10-6-4-2;/h7-8,11-12H,3-6,9-10H2,1-2H3;.
What are the key properties of CID 159940559?
CID 159940559 has a molecular weight of 213.32 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159940559 is sourced from PubChem (CID 159940559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).