2-methyl-5-octadecyloxolane

C23H46O — CID 167511066

IUPAC2-methyl-5-octadecyloxolane
SMILESCCCCCCCCCCCCCCCCCCC1CCC(C)O1
InChIInChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21-20-22(2)24-23/h22-23H,3-21H2,1-2H3
InChIKeyGBXXSDDXQYCKHL-UHFFFAOYSA-N
MW338.62 g/mol
LogP8.21
Rot. Bonds17

About 2-methyl-5-octadecyloxolane

2-methyl-5-octadecyloxolane (PubChem CID 167511066) has the molecular formula C23H46O and a molecular weight of 338.62 g/mol. Its IUPAC name is 2-methyl-5-octadecyloxolane.

Molecular Properties

Compound Name2-methyl-5-octadecyloxolane
PubChem CID167511066
Molecular FormulaC23H46O
Molecular Weight338.62 g/mol
Exact Mass338.35
IUPAC Name2-methyl-5-octadecyloxolane
SMILESCCCCCCCCCCCCCCCCCCC1CCC(C)O1
InChIInChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21-20-22(2)24-23/h22-23H,3-21H2,1-2H3
InChIKeyGBXXSDDXQYCKHL-UHFFFAOYSA-N
XLogP8.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 58.21
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

(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
2-heptyl-4-methyloxetane
CID 174470649
[(2S,5R)-5-decyloxolan-2-yl]methanol
CID 42627830
[(2S,5R)-5-heptadecyloxolan-2-yl]methanol
CID 57189033
(5-heptyloxolan-2-yl)methanol
CID 11820121
2-(hexadecoxymethyl)-5-methyloxolane
CID 68865458
N-[(5-methyloxolan-2-yl)methyl]octan-1-amine
CID 82835383
butane;2-(dodecoxymethyl)-5-methyloxolane
CID 144869881
(2S,4S,6R)-4-chloro-2-hexyl-6-methyloxane
CID 15865907
2-(5-decyloxolan-2-yl)acetic acid
CID 14377096
2-octadecyloxetane
CID 168986267
2-tetratetracontyloxirane
CID 102093754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-octadecyloxolane?
The IUPAC name of 2-methyl-5-octadecyloxolane (CID 167511066) is 2-methyl-5-octadecyloxolane.
What is the SMILES notation for 2-methyl-5-octadecyloxolane?
The canonical SMILES for 2-methyl-5-octadecyloxolane is CCCCCCCCCCCCCCCCCCC1CCC(C)O1.
What is the InChIKey of 2-methyl-5-octadecyloxolane?
The InChIKey is GBXXSDDXQYCKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21-20-22(2)24-23/h22-23H,3-21H2,1-2H3.
What are the key properties of 2-methyl-5-octadecyloxolane?
2-methyl-5-octadecyloxolane has a molecular weight of 338.62 g/mol, XLogP of 8.21, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-octadecyloxolane is sourced from PubChem (CID 167511066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).