2-chloro-4-methyl-3-octadecyloxolane

C23H45ClO — CID 23124436

IUPAC2-chloro-4-methyl-3-octadecyloxolane
SMILESCCCCCCCCCCCCCCCCCCC1C(C)COC1Cl
InChIInChI=1S/C23H45ClO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-21(2)20-25-23(22)24/h21-23H,3-20H2,1-2H3
InChIKeyJKHTXCTXFRSFOE-UHFFFAOYSA-N
MW373.07 g/mol
LogP8.49
Rot. Bonds17

About 2-chloro-4-methyl-3-octadecyloxolane

2-chloro-4-methyl-3-octadecyloxolane (PubChem CID 23124436) has the molecular formula C23H45ClO and a molecular weight of 373.07 g/mol. Its IUPAC name is 2-chloro-4-methyl-3-octadecyloxolane.

Molecular Properties

Compound Name2-chloro-4-methyl-3-octadecyloxolane
PubChem CID23124436
Molecular FormulaC23H45ClO
Molecular Weight373.07 g/mol
Exact Mass372.32
IUPAC Name2-chloro-4-methyl-3-octadecyloxolane
SMILESCCCCCCCCCCCCCCCCCCC1C(C)COC1Cl
InChIInChI=1S/C23H45ClO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-21(2)20-25-23(22)24/h21-23H,3-20H2,1-2H3
InChIKeyJKHTXCTXFRSFOE-UHFFFAOYSA-N
XLogP8.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.07
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

14-Oxabicyclo[10.3.0]pentadecane, 2-chloro-
CID 535082
2-Chloro-4-ethyl-3-nonyloxolane
CID 23124321
2-Chloro-5-ethyl-3-octadecyloxane
CID 23124323
2-Chloro-4-ethyl-3-octadecyloxolane
CID 23124337
2-Chloro-3-decyloxolane
CID 23124341
2-Chloro-3-decyl-4-methyloxolane
CID 23124342
1-(1-Chloro-2-methylbutoxy)dodecane
CID 23124343
2-Chloro-4-ethyl-3-propyloxolane
CID 23124345
2-Chloro-4-ethyl-3-(2-ethylhexyl)oxolane
CID 23124348
2-Chloro-3-(2-ethylhexyl)-4-methyloxolane
CID 23124350
2-Chloro-4-methyl-3-pentyloxolane
CID 23124354
2-Chloro-3-hexyl-4-methyloxolane
CID 23124356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-3-octadecyloxolane?
The IUPAC name of 2-chloro-4-methyl-3-octadecyloxolane (CID 23124436) is 2-chloro-4-methyl-3-octadecyloxolane.
What is the SMILES notation for 2-chloro-4-methyl-3-octadecyloxolane?
The canonical SMILES for 2-chloro-4-methyl-3-octadecyloxolane is CCCCCCCCCCCCCCCCCCC1C(C)COC1Cl.
What is the InChIKey of 2-chloro-4-methyl-3-octadecyloxolane?
The InChIKey is JKHTXCTXFRSFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45ClO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-21(2)20-25-23(22)24/h21-23H,3-20H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-3-octadecyloxolane?
2-chloro-4-methyl-3-octadecyloxolane has a molecular weight of 373.07 g/mol, XLogP of 8.49, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-3-octadecyloxolane is sourced from PubChem (CID 23124436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).