2-hexadecyloxolane

C20H40O — CID 10756379

IUPAC2-hexadecyloxolane
SMILESCCCCCCCCCCCCCCCCC1CCCO1
InChIInChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21-20/h20H,2-19H2,1H3
InChIKeyDHJJOPRVQLGFNN-UHFFFAOYSA-N
MW296.54 g/mol
LogP7.04
Rot. Bonds15

About 2-hexadecyloxolane

2-hexadecyloxolane (PubChem CID 10756379) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-hexadecyloxolane.

Molecular Properties

Compound Name2-hexadecyloxolane
PubChem CID10756379
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name2-hexadecyloxolane
SMILESCCCCCCCCCCCCCCCCC1CCCO1
InChIInChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21-20/h20H,2-19H2,1H3
InChIKeyDHJJOPRVQLGFNN-UHFFFAOYSA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.04
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

2,5-Diethyltetrahydrofuran
CID 62913
1,2-Epoxyhexadecane
CID 23741
Dicaprylyl Ether
CID 12399
2-Butyltetrahydrofuran
CID 13861
Didecyl Ether
CID 17152
Dilauryl Ether
CID 20667
Dimyristyl Ether
CID 79433
Furan, 2-heptyltetrahydro-
CID 102816
1,2-Epoxyoctadecane
CID 23872
Furan, tetrahydro-2-octyl-
CID 110735
9,10-Epoxyoctadecane
CID 4621500
Oxirane, 2-pentadecyl-
CID 89596

Frequently Asked Questions

What is the IUPAC name of 2-hexadecyloxolane?
The IUPAC name of 2-hexadecyloxolane (CID 10756379) is 2-hexadecyloxolane.
What is the SMILES notation for 2-hexadecyloxolane?
The canonical SMILES for 2-hexadecyloxolane is CCCCCCCCCCCCCCCCC1CCCO1.
What is the InChIKey of 2-hexadecyloxolane?
The InChIKey is DHJJOPRVQLGFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21-20/h20H,2-19H2,1H3.
What are the key properties of 2-hexadecyloxolane?
2-hexadecyloxolane has a molecular weight of 296.54 g/mol, XLogP of 7.04, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecyloxolane is sourced from PubChem (CID 10756379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).