ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C15H30 — CID 143769708

IUPACethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC.CCC1CC2CCCCC2CC1C
InChIInChI=1S/C13H24.C2H6/c1-3-11-9-13-7-5-4-6-12(13)8-10(11)2;1-2/h10-13H,3-9H2,1-2H3;1-2H3
InChIKeyXYTMNZGAMKLCHN-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds1

About ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 143769708) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Nameethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID143769708
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Nameethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC.CCC1CC2CCCCC2CC1C
InChIInChI=1S/C13H24.C2H6/c1-3-11-9-13-7-5-4-6-12(13)8-10(11)2;1-2/h10-13H,3-9H2,1-2H3;1-2H3
InChIKeyXYTMNZGAMKLCHN-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
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 ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 143769708) is ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC.CCC1CC2CCCCC2CC1C.
What is the InChIKey of ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is XYTMNZGAMKLCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.C2H6/c1-3-11-9-13-7-5-4-6-12(13)8-10(11)2;1-2/h10-13H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 210.40 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 143769708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).