1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C15H28 — CID 153303896

IUPAC1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1CC(C)CC2C(CC)CCCC12
InChIInChI=1S/C15H28/c1-4-12-7-6-8-14-13(5-2)9-11(3)10-15(12)14/h11-15H,4-10H2,1-3H3
InChIKeyNZRMECJYENEJRK-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds2

About 1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 153303896) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID153303896
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1CC(C)CC2C(CC)CCCC12
InChIInChI=1S/C15H28/c1-4-12-7-6-8-14-13(5-2)9-11(3)10-15(12)14/h11-15H,4-10H2,1-3H3
InChIKeyNZRMECJYENEJRK-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 153303896) is 1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCC1CC(C)CC2C(CC)CCCC12.
What is the InChIKey of 1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is NZRMECJYENEJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-4-12-7-6-8-14-13(5-2)9-11(3)10-15(12)14/h11-15H,4-10H2,1-3H3.
What are the key properties of 1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 208.39 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 153303896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).