ethane;(5R)-3,3,5-trimethyloctane

C13H30 — CID 143538899

IUPACethane;(5R)-3,3,5-trimethyloctane
SMILESCC.CCC[C@@H](C)CC(C)(C)CC
InChIInChI=1S/C11H24.C2H6/c1-6-8-10(3)9-11(4,5)7-2;1-2/h10H,6-9H2,1-5H3;1-2H3/t10-;/m1./s1
InChIKeyWGCBDVGIYPXITN-HNCPQSOCSA-N
MW186.38 g/mol
LogP5.28
Rot. Bonds5

About ethane;(5R)-3,3,5-trimethyloctane

ethane;(5R)-3,3,5-trimethyloctane (PubChem CID 143538899) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is ethane;(5R)-3,3,5-trimethyloctane.

Molecular Properties

Compound Nameethane;(5R)-3,3,5-trimethyloctane
PubChem CID143538899
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Nameethane;(5R)-3,3,5-trimethyloctane
SMILESCC.CCC[C@@H](C)CC(C)(C)CC
InChIInChI=1S/C11H24.C2H6/c1-6-8-10(3)9-11(4,5)7-2;1-2/h10H,6-9H2,1-5H3;1-2H3/t10-;/m1./s1
InChIKeyWGCBDVGIYPXITN-HNCPQSOCSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;(5R)-3,3,5-trimethyloctane?
The IUPAC name of ethane;(5R)-3,3,5-trimethyloctane (CID 143538899) is ethane;(5R)-3,3,5-trimethyloctane.
What is the SMILES notation for ethane;(5R)-3,3,5-trimethyloctane?
The canonical SMILES for ethane;(5R)-3,3,5-trimethyloctane is CC.CCC[C@@H](C)CC(C)(C)CC.
What is the InChIKey of ethane;(5R)-3,3,5-trimethyloctane?
The InChIKey is WGCBDVGIYPXITN-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H24.C2H6/c1-6-8-10(3)9-11(4,5)7-2;1-2/h10H,6-9H2,1-5H3;1-2H3/t10-;/m1./s1.
What are the key properties of ethane;(5R)-3,3,5-trimethyloctane?
ethane;(5R)-3,3,5-trimethyloctane has a molecular weight of 186.38 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5R)-3,3,5-trimethyloctane is sourced from PubChem (CID 143538899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).