5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane

C22H38O2 — CID 135227109

IUPAC5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane
SMILESCC1=CCC(CCC2CCC(CCC3CCC(C)CO3)OC2)CC1
InChIInChI=1S/C22H38O2/c1-17-3-6-19(7-4-17)8-9-20-10-12-22(24-16-20)14-13-21-11-5-18(2)15-23-21/h3,18-22H,4-16H2,1-2H3
InChIKeyFTYOOBQCLNGASM-UHFFFAOYSA-N
MW334.54 g/mol
LogP5.90
Rot. Bonds6

About 5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane

5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane (PubChem CID 135227109) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane.

Molecular Properties

Compound Name5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane
PubChem CID135227109
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane
SMILESCC1=CCC(CCC2CCC(CCC3CCC(C)CO3)OC2)CC1
InChIInChI=1S/C22H38O2/c1-17-3-6-19(7-4-17)8-9-20-10-12-22(24-16-20)14-13-21-11-5-18(2)15-23-21/h3,18-22H,4-16H2,1-2H3
InChIKeyFTYOOBQCLNGASM-UHFFFAOYSA-N
XLogP5.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 57112750
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CID 57319333
CID 57319333
CID 163425313
CID 163425313
CID 10774208
CID 10774208
CID 134993703
CID 134993703
CID 543961
CID 543961
CID 572284
CID 572284
CID 578289
CID 578289
CID 12347125
CID 12347125

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane?
The IUPAC name of 5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane (CID 135227109) is 5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane.
What is the SMILES notation for 5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane?
The canonical SMILES for 5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane is CC1=CCC(CCC2CCC(CCC3CCC(C)CO3)OC2)CC1.
What is the InChIKey of 5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane?
The InChIKey is FTYOOBQCLNGASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2/c1-17-3-6-19(7-4-17)8-9-20-10-12-22(24-16-20)14-13-21-11-5-18(2)15-23-21/h3,18-22H,4-16H2,1-2H3.
What are the key properties of 5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane?
5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane has a molecular weight of 334.54 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane is sourced from PubChem (CID 135227109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).