7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene

C21H32 — CID 168781243

IUPAC7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc2c(c1)CC(C1CCC(CC(C)C)C1)CC2
InChIInChI=1S/C21H32/c1-4-16-5-7-18-9-10-20(14-21(18)12-16)19-8-6-17(13-19)11-15(2)3/h5,7,12,15,17,19-20H,4,6,8-11,13-14H2,1-3H3
InChIKeyBOCYRCHSCRGGHT-UHFFFAOYSA-N
MW284.49 g/mol
LogP5.82
Rot. Bonds4

About 7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene

7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 168781243) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID168781243
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc2c(c1)CC(C1CCC(CC(C)C)C1)CC2
InChIInChI=1S/C21H32/c1-4-16-5-7-18-9-10-20(14-21(18)12-16)19-8-6-17(13-19)11-15(2)3/h5,7,12,15,17,19-20H,4,6,8-11,13-14H2,1-3H3
InChIKeyBOCYRCHSCRGGHT-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 22383483
(2R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130940477
2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 22384357
2-[(6R,8aR)-6-pent-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-heptyl-1,2,3,4-tetrahydronaphthalene
CID 91055196
2-(6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139865202
2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 139866093
6-heptyl-2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 22383065
2-[(6R,8aR)-6-but-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-butyl-1,2,3,4-tetrahydronaphthalene
CID 91443856
2-methyl-6-[2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 143677144
2-[(6R,8aR)-6-but-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-hexyl-1,2,3,4-tetrahydronaphthalene
CID 91463899
2-[(6R,8aR)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20808644
2-[(6R,8aR)-6-but-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-pent-3-enyl-1,2,3,4-tetrahydronaphthalene
CID 90707780

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene (CID 168781243) is 7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene is CCc1ccc2c(c1)CC(C1CCC(CC(C)C)C1)CC2.
What is the InChIKey of 7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BOCYRCHSCRGGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-4-16-5-7-18-9-10-20(14-21(18)12-16)19-8-6-17(13-19)11-15(2)3/h5,7,12,15,17,19-20H,4,6,8-11,13-14H2,1-3H3.
What are the key properties of 7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene?
7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 284.49 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[3-(2-methylpropyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 168781243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).