(2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene

C19H28 — CID 143761484

IUPAC(2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(Cc2ccc3c(c2)CC[C@H](C)C3)CC1
InChIInChI=1S/C19H28/c1-14-3-6-16(7-4-14)12-17-8-10-18-11-15(2)5-9-19(18)13-17/h8,10,13-16H,3-7,9,11-12H2,1-2H3/t14?,15-,16?/m0/s1
InChIKeyVVAOYSNGQLNVMQ-PCKAHOCUSA-N
MW256.43 g/mol
LogP5.18
Rot. Bonds2

About (2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene

(2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 143761484) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is (2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID143761484
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name(2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC(Cc2ccc3c(c2)CC[C@H](C)C3)CC1
InChIInChI=1S/C19H28/c1-14-3-6-16(7-4-14)12-17-8-10-18-11-15(2)5-9-19(18)13-17/h8,10,13-16H,3-7,9,11-12H2,1-2H3/t14?,15-,16?/m0/s1
InChIKeyVVAOYSNGQLNVMQ-PCKAHOCUSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine
CID 106779365
1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
CID 158679875
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
(2S)-2,6-diethyl-1,2,3,4-tetrahydronaphthalene;methylcyclohexane;molecular hydrogen
CID 143761539
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)benzene
CID 163396253
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene
CID 59265507
4-[(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84793092
N-[4-(cyclopropylmethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 155314010
6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379430

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 143761484) is (2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene is CC1CCC(Cc2ccc3c(c2)CC[C@H](C)C3)CC1.
What is the InChIKey of (2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is VVAOYSNGQLNVMQ-PCKAHOCUSA-N. The full InChI is InChI=1S/C19H28/c1-14-3-6-16(7-4-14)12-17-8-10-18-11-15(2)5-9-19(18)13-17/h8,10,13-16H,3-7,9,11-12H2,1-2H3/t14?,15-,16?/m0/s1.
What are the key properties of (2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene?
(2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 256.43 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143761484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).