ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol

C24H40O2 — CID 143210065

IUPACethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol
SMILESC=C.CC.CC1CCC(CCC2CCC(c3ccc(O)cc3)CO2)CC1
InChIInChI=1S/C20H30O2.C2H6.C2H4/c1-15-2-4-16(5-3-15)6-12-20-13-9-18(14-22-20)17-7-10-19(21)11-8-17;2*1-2/h7-8,10-11,15-16,18,20-21H,2-6,9,12-14H2,1H3;1-2H3;1-2H2
InChIKeyUEVUAFSWPWSKEA-UHFFFAOYSA-N
MW360.58 g/mol
LogP7.09
Rot. Bonds4

About ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol

ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol (PubChem CID 143210065) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol.

Molecular Properties

Compound Nameethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol
PubChem CID143210065
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Nameethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol
SMILESC=C.CC.CC1CCC(CCC2CCC(c3ccc(O)cc3)CO2)CC1
InChIInChI=1S/C20H30O2.C2H6.C2H4/c1-15-2-4-16(5-3-15)6-12-20-13-9-18(14-22-20)17-7-10-19(21)11-8-17;2*1-2/h7-8,10-11,15-16,18,20-21H,2-6,9,12-14H2,1H3;1-2H3;1-2H2
InChIKeyUEVUAFSWPWSKEA-UHFFFAOYSA-N
XLogP7.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane
CID 143210170
4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol
CID 143210026
5-(2,3-difluoro-4-methylphenyl)-2-[2-(4-methylcyclohexyl)ethyl]oxane
CID 21337869
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
5-(4-methylphenyl)-2-propyloxane
CID 21247988
2-[2-(4-methylcyclohexyl)ethyl]oxirane
CID 58971302
2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane
CID 146254030
5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
CID 58620495
5-(4-methylphenyl)-2-pentyloxane
CID 21248084
carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene
CID 90949618
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
4-[(3R,5S)-5-hexyloxolan-3-yl]phenol
CID 139607830

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol?
The IUPAC name of ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol (CID 143210065) is ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol.
What is the SMILES notation for ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol?
The canonical SMILES for ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol is C=C.CC.CC1CCC(CCC2CCC(c3ccc(O)cc3)CO2)CC1.
What is the InChIKey of ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol?
The InChIKey is UEVUAFSWPWSKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2.C2H6.C2H4/c1-15-2-4-16(5-3-15)6-12-20-13-9-18(14-22-20)17-7-10-19(21)11-8-17;2*1-2/h7-8,10-11,15-16,18,20-21H,2-6,9,12-14H2,1H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol?
ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol has a molecular weight of 360.58 g/mol, XLogP of 7.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol is sourced from PubChem (CID 143210065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).