CID 59959489

C16H24O — CID 59959489

IUPAC—
SMILES[CH]Oc1ccc(CCCCCCCCC)cc1
InChIInChI=1S/C16H24O/c1-3-4-5-6-7-8-9-10-15-11-13-16(17-2)14-12-15/h2,11-14H,3-10H2,1H3
InChIKeyDKVSKVBCIXTNJM-UHFFFAOYSA-N
MW232.37 g/mol
LogP5.03
Rot. Bonds9

About CID 59959489

CID 59959489 (PubChem CID 59959489) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol.

Molecular Properties

Compound NameCID 59959489
PubChem CID59959489
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name—
SMILES[CH]Oc1ccc(CCCCCCCCC)cc1
InChIInChI=1S/C16H24O/c1-3-4-5-6-7-8-9-10-15-11-13-16(17-2)14-12-15/h2,11-14H,3-10H2,1H3
InChIKeyDKVSKVBCIXTNJM-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-methyl-4-octylbenzene
CID 11052746
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
1-butyl-4-nonylbenzene
CID 59545302
1-hexoxy-4-pentylbenzene
CID 54277450
1-dodecyl-4-ethenoxybenzene
CID 174857999
1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
CID 173283482
(4-octylphenoxy)-oxophosphanium
CID 123939155
CID 59957588
CID 59957588
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415

Frequently Asked Questions

What is the IUPAC name of CID 59959489?
The IUPAC name of CID 59959489 (CID 59959489) is not available.
What is the SMILES notation for CID 59959489?
The canonical SMILES for CID 59959489 is [CH]Oc1ccc(CCCCCCCCC)cc1.
What is the InChIKey of CID 59959489?
The InChIKey is DKVSKVBCIXTNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-4-5-6-7-8-9-10-15-11-13-16(17-2)14-12-15/h2,11-14H,3-10H2,1H3.
What are the key properties of CID 59959489?
CID 59959489 has a molecular weight of 232.37 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59959489 is sourced from PubChem (CID 59959489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).