(2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen

C21H36 — CID 143761539

IUPAC(2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen
SMILESCC1CCCCC1.CCc1ccc2c(c1)CC[C@H](CC)C2.[H][H]
InChIInChI=1S/C14H20.C7H14.H2/c1-3-11-5-7-14-10-12(4-2)6-8-13(14)9-11;1-7-5-3-2-4-6-7;/h5,7,9,12H,3-4,6,8,10H2,1-2H3;7H,2-6H2,1H3;1H/t12-;;/m0../s1
InChIKeyVSCPJNNCEBRBLF-LTCKWSDVSA-N
MW288.52 g/mol
LogP6.60
Rot. Bonds2

About (2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen

(2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen (PubChem CID 143761539) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is (2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen
PubChem CID143761539
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name(2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen
SMILESCC1CCCCC1.CCc1ccc2c(c1)CC[C@H](CC)C2.[H][H]
InChIInChI=1S/C14H20.C7H14.H2/c1-3-11-5-7-14-10-12(4-2)6-8-13(14)9-11;1-7-5-3-2-4-6-7;/h5,7,9,12H,3-4,6,8,10H2,1-2H3;7H,2-6H2,1H3;1H/t12-;;/m0../s1
InChIKeyVSCPJNNCEBRBLF-LTCKWSDVSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(7-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethylphosphane
CID 143168863
(2R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130940477
(2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 143761484
2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 71174187
N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene
CID 177367040
tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone
CID 143761588
2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139848750
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
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
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042
5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514254

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen?
The IUPAC name of (2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen (CID 143761539) is (2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen.
What is the SMILES notation for (2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen?
The canonical SMILES for (2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen is CC1CCCCC1.CCc1ccc2c(c1)CC[C@H](CC)C2.[H][H].
What is the InChIKey of (2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen?
The InChIKey is VSCPJNNCEBRBLF-LTCKWSDVSA-N. The full InChI is InChI=1S/C14H20.C7H14.H2/c1-3-11-5-7-14-10-12(4-2)6-8-13(14)9-11;1-7-5-3-2-4-6-7;/h5,7,9,12H,3-4,6,8,10H2,1-2H3;7H,2-6H2,1H3;1H/t12-;;/m0../s1.
What are the key properties of (2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen?
(2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen has a molecular weight of 288.52 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen is sourced from PubChem (CID 143761539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).