CID 158401065

C14H21LiOP — CID 158401065

IUPAC—
SMILESCCPC(=O)c1c(C)c(C)c(C)c(C)c1C.[Li]
InChIInChI=1S/C14H21OP.Li/c1-7-16-14(15)13-11(5)9(3)8(2)10(4)12(13)6;/h16H,7H2,1-6H3;
InChIKeyGYCKXKRKFFZFCL-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.69
Rot. Bonds3

About CID 158401065

CID 158401065 (PubChem CID 158401065) has the molecular formula C14H21LiOP and a molecular weight of 243.24 g/mol.

Molecular Properties

Compound NameCID 158401065
PubChem CID158401065
Molecular FormulaC14H21LiOP
Molecular Weight243.24 g/mol
Exact Mass243.15
IUPAC Name—
SMILESCCPC(=O)c1c(C)c(C)c(C)c(C)c1C.[Li]
InChIInChI=1S/C14H21OP.Li/c1-7-16-14(15)13-11(5)9(3)8(2)10(4)12(13)6;/h16H,7H2,1-6H3;
InChIKeyGYCKXKRKFFZFCL-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158401065?
The IUPAC name of CID 158401065 (CID 158401065) is not available.
What is the SMILES notation for CID 158401065?
The canonical SMILES for CID 158401065 is CCPC(=O)c1c(C)c(C)c(C)c(C)c1C.[Li].
What is the InChIKey of CID 158401065?
The InChIKey is GYCKXKRKFFZFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21OP.Li/c1-7-16-14(15)13-11(5)9(3)8(2)10(4)12(13)6;/h16H,7H2,1-6H3;.
What are the key properties of CID 158401065?
CID 158401065 has a molecular weight of 243.24 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158401065 is sourced from PubChem (CID 158401065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).