1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C19H34 — CID 15920180

IUPAC1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC2CCCCC2C1C(C)C1CCCCC1
InChIInChI=1S/C19H34/c1-14-12-13-17-10-6-7-11-18(17)19(14)15(2)16-8-4-3-5-9-16/h14-19H,3-13H2,1-2H3
InChIKeyLDYPPPSTFVVVSA-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.06
Rot. Bonds2

About 1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 15920180) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID15920180
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC2CCCCC2C1C(C)C1CCCCC1
InChIInChI=1S/C19H34/c1-14-12-13-17-10-6-7-11-18(17)19(14)15(2)16-8-4-3-5-9-16/h14-19H,3-13H2,1-2H3
InChIKeyLDYPPPSTFVVVSA-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 15920180) is 1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC1CCC2CCCCC2C1C(C)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is LDYPPPSTFVVVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-14-12-13-17-10-6-7-11-18(17)19(14)15(2)16-8-4-3-5-9-16/h14-19H,3-13H2,1-2H3.
What are the key properties of 1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 262.48 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 15920180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).