1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene

C16H24 — CID 139724395

IUPAC1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene
SMILES[2H]c1cc(CCC2CCC(CC)CC2)c([2H])c([2H])c1[2H]
InChIInChI=1S/C16H24/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3/i3D,4D,5D,6D
InChIKeyVLSXEOQRBCZJOR-LNFUJOGGSA-N
MW220.39 g/mol
LogP4.84
Rot. Bonds4

About 1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene

1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene (PubChem CID 139724395) has the molecular formula C16H24 and a molecular weight of 220.39 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene
PubChem CID139724395
Molecular FormulaC16H24
Molecular Weight220.39 g/mol
Exact Mass220.21
IUPAC Name1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene
SMILES[2H]c1cc(CCC2CCC(CC)CC2)c([2H])c([2H])c1[2H]
InChIInChI=1S/C16H24/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3/i3D,4D,5D,6D
InChIKeyVLSXEOQRBCZJOR-LNFUJOGGSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
1,2,4-trideuterio-3-[2-deuterio-4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-5,6-difluorobenzene
CID 139724412
1,3-dideuterio-2-[3,5-dideuterio-4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]-4,5,6-trifluorobenzene
CID 139724372
2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980435
1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
CID 19739072
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene
CID 67782354
1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene
CID 19739078
1-[2-(4-ethylcyclohexyl)ethyl]-4-(1,1,2,2,2-pentafluoroethoxy)benzene;1-(1,1,2,2,2-pentafluoroethoxy)-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 88635475
3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine
CID 57057112
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene?
The IUPAC name of 1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene (CID 139724395) is 1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene is [2H]c1cc(CCC2CCC(CC)CC2)c([2H])c([2H])c1[2H].
What is the InChIKey of 1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene?
The InChIKey is VLSXEOQRBCZJOR-LNFUJOGGSA-N. The full InChI is InChI=1S/C16H24/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3/i3D,4D,5D,6D.
What are the key properties of 1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene?
1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene has a molecular weight of 220.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetradeuterio-5-[2-(4-ethylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 139724395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).