CID 158792811

C14H22Na — CID 158792811

IUPAC—
SMILESCC(C)(C)CC(C)(C)c1ccccc1.[Na]
InChIInChI=1S/C14H22.Na/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12;/h6-10H,11H2,1-5H3;
InChIKeyISMJOHDBJYZFBE-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.02
Rot. Bonds2

About CID 158792811

CID 158792811 (PubChem CID 158792811) has the molecular formula C14H22Na and a molecular weight of 213.32 g/mol.

Molecular Properties

Compound NameCID 158792811
PubChem CID158792811
Molecular FormulaC14H22Na
Molecular Weight213.32 g/mol
Exact Mass213.16
IUPAC Name—
SMILESCC(C)(C)CC(C)(C)c1ccccc1.[Na]
InChIInChI=1S/C14H22.Na/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12;/h6-10H,11H2,1-5H3;
InChIKeyISMJOHDBJYZFBE-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 158792811?
The IUPAC name of CID 158792811 (CID 158792811) is not available.
What is the SMILES notation for CID 158792811?
The canonical SMILES for CID 158792811 is CC(C)(C)CC(C)(C)c1ccccc1.[Na].
What is the InChIKey of CID 158792811?
The InChIKey is ISMJOHDBJYZFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.Na/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12;/h6-10H,11H2,1-5H3;.
What are the key properties of CID 158792811?
CID 158792811 has a molecular weight of 213.32 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158792811 is sourced from PubChem (CID 158792811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).