9,10-diethyloctadecane

C22H46 — CID 530164

IUPAC9,10-diethyloctadecane
SMILESCCCCCCCCC(CC)C(CC)CCCCCCCC
InChIInChI=1S/C22H46/c1-5-9-11-13-15-17-19-21(7-3)22(8-4)20-18-16-14-12-10-6-2/h21-22H,5-20H2,1-4H3
InChIKeyAVZUSORDOHPBIA-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.54
Rot. Bonds17

About 9,10-diethyloctadecane

9,10-diethyloctadecane (PubChem CID 530164) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 9,10-diethyloctadecane.

Molecular Properties

Compound Name9,10-diethyloctadecane
PubChem CID530164
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name9,10-diethyloctadecane
SMILESCCCCCCCCC(CC)C(CC)CCCCCCCC
InChIInChI=1S/C22H46/c1-5-9-11-13-15-17-19-21(7-3)22(8-4)20-18-16-14-12-10-6-2/h21-22H,5-20H2,1-4H3
InChIKeyAVZUSORDOHPBIA-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 57212477
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CID 90761715
6-ethyl-7-pentyltetradecane
CID 123140274
5-butyl-6-ethyldodecane
CID 529932
7-ethyl-6-propyltridecane
CID 530352
8-ethyl-7-methylhexadecane
CID 56974440
4-ethyl-3-methylundecane
CID 57279647
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
8,9-dibutylhexadecane
CID 530025
2-ethyltetradecane-1,1-diol
CID 123855382
9-ethyl-11-methyl-10-octylnonadecane
CID 175467695

Frequently Asked Questions

What is the IUPAC name of 9,10-diethyloctadecane?
The IUPAC name of 9,10-diethyloctadecane (CID 530164) is 9,10-diethyloctadecane.
What is the SMILES notation for 9,10-diethyloctadecane?
The canonical SMILES for 9,10-diethyloctadecane is CCCCCCCCC(CC)C(CC)CCCCCCCC.
What is the InChIKey of 9,10-diethyloctadecane?
The InChIKey is AVZUSORDOHPBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-5-9-11-13-15-17-19-21(7-3)22(8-4)20-18-16-14-12-10-6-2/h21-22H,5-20H2,1-4H3.
What are the key properties of 9,10-diethyloctadecane?
9,10-diethyloctadecane has a molecular weight of 310.61 g/mol, XLogP of 8.54, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diethyloctadecane is sourced from PubChem (CID 530164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).