CID 172776718

C9H20KO — CID 172776718

IUPAC—
SMILESCCCCC(O)CCCC.[K]
InChIInChI=1S/C9H20O.K/c1-3-5-7-9(10)8-6-4-2;/h9-10H,3-8H2,1-2H3;
InChIKeyNRRMDLKNIAWYHJ-UHFFFAOYSA-N
MW183.36 g/mol
LogP2.35
Rot. Bonds6

About CID 172776718

CID 172776718 (PubChem CID 172776718) has the molecular formula C9H20KO and a molecular weight of 183.36 g/mol.

Molecular Properties

Compound NameCID 172776718
PubChem CID172776718
Molecular FormulaC9H20KO
Molecular Weight183.36 g/mol
Exact Mass183.12
IUPAC Name—
SMILESCCCCC(O)CCCC.[K]
InChIInChI=1S/C9H20O.K/c1-3-5-7-9(10)8-6-4-2;/h9-10H,3-8H2,1-2H3;
InChIKeyNRRMDLKNIAWYHJ-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

icosane-5,11-diol
CID 170722582
tritetracontan-5-ol
CID 162898528
(5S)-octadecan-5-ol
CID 98231191
icosane-5,10-diol
CID 170722579
octadecane-5,9,10,14-tetrol
CID 123917796
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400

Frequently Asked Questions

What is the IUPAC name of CID 172776718?
The IUPAC name of CID 172776718 (CID 172776718) is not available.
What is the SMILES notation for CID 172776718?
The canonical SMILES for CID 172776718 is CCCCC(O)CCCC.[K].
What is the InChIKey of CID 172776718?
The InChIKey is NRRMDLKNIAWYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.K/c1-3-5-7-9(10)8-6-4-2;/h9-10H,3-8H2,1-2H3;.
What are the key properties of CID 172776718?
CID 172776718 has a molecular weight of 183.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172776718 is sourced from PubChem (CID 172776718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).