CID 175900742

C16H26KO — CID 175900742

IUPAC—
SMILESCCCCCCCCCc1ccc(C)c(O)c1.[K]
InChIInChI=1S/C16H26O.K/c1-3-4-5-6-7-8-9-10-15-12-11-14(2)16(17)13-15;/h11-13,17H,3-10H2,1-2H3;
InChIKeyZSNZTDZXXVUIRC-UHFFFAOYSA-N
MW273.48 g/mol
LogP4.61
Rot. Bonds8

About CID 175900742

CID 175900742 (PubChem CID 175900742) has the molecular formula C16H26KO and a molecular weight of 273.48 g/mol.

Molecular Properties

Compound NameCID 175900742
PubChem CID175900742
Molecular FormulaC16H26KO
Molecular Weight273.48 g/mol
Exact Mass273.16
IUPAC Name—
SMILESCCCCCCCCCc1ccc(C)c(O)c1.[K]
InChIInChI=1S/C16H26O.K/c1-3-4-5-6-7-8-9-10-15-12-11-14(2)16(17)13-15;/h11-13,17H,3-10H2,1-2H3;
InChIKeyZSNZTDZXXVUIRC-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,2-dimethyl-4-octylbenzene
CID 14044616
2-decyl-5-nonylbenzene-1,3-diol
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5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol
CID 138664749
2-butyl-5-pentadecylphenol
CID 175271686
2-ethyl-5-nonylphenol
CID 54394722
2-iodo-5-pentadecylphenol
CID 11953466
2-[(2-hydroxy-5-octadecylphenyl)disulfanyl]-4-octadecylphenol
CID 71319393
4-nonyl-2-pentylphenol
CID 86162849
2-methyl-5-[3-(methylamino)propyl]phenol
CID 83696087
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217

Frequently Asked Questions

What is the IUPAC name of CID 175900742?
The IUPAC name of CID 175900742 (CID 175900742) is not available.
What is the SMILES notation for CID 175900742?
The canonical SMILES for CID 175900742 is CCCCCCCCCc1ccc(C)c(O)c1.[K].
What is the InChIKey of CID 175900742?
The InChIKey is ZSNZTDZXXVUIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O.K/c1-3-4-5-6-7-8-9-10-15-12-11-14(2)16(17)13-15;/h11-13,17H,3-10H2,1-2H3;.
What are the key properties of CID 175900742?
CID 175900742 has a molecular weight of 273.48 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175900742 is sourced from PubChem (CID 175900742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).