(3S)-5-ethyl-3,5-dimethyloctane

C12H26 — CID 143713459

IUPAC(3S)-5-ethyl-3,5-dimethyloctane
SMILESCCCC(C)(CC)C[C@@H](C)CC
InChIInChI=1S/C12H26/c1-6-9-12(5,8-3)10-11(4)7-2/h11H,6-10H2,1-5H3/t11-,12?/m0/s1
InChIKeyOLBJDMSGRVKJMF-PXYINDEMSA-N
MW170.34 g/mol
LogP4.64
Rot. Bonds6

About (3S)-5-ethyl-3,5-dimethyloctane

(3S)-5-ethyl-3,5-dimethyloctane (PubChem CID 143713459) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is (3S)-5-ethyl-3,5-dimethyloctane.

Molecular Properties

Compound Name(3S)-5-ethyl-3,5-dimethyloctane
PubChem CID143713459
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name(3S)-5-ethyl-3,5-dimethyloctane
SMILESCCCC(C)(CC)C[C@@H](C)CC
InChIInChI=1S/C12H26/c1-6-9-12(5,8-3)10-11(4)7-2/h11H,6-10H2,1-5H3/t11-,12?/m0/s1
InChIKeyOLBJDMSGRVKJMF-PXYINDEMSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane
CID 143713458
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
5-ethyl-3-methyl-5-propyloctane
CID 57492740
5-ethynyl-3,5-dimethyloctane
CID 101010362
N,2-diethyl-2,4-dimethylhexan-1-amine
CID 62726078
(9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one
CID 163517546
1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025
3-fluoro-3,5-dimethylheptane
CID 123257807
(7S)-5,7-dimethyl-5-propylundecane
CID 175363506
(4R,6S)-2,2,4,6-tetramethyl-4-propylnonane
CID 58193630
2,11-dimethyl-11-(2-methylbutyl)octadecane
CID 90943555
methane;2,2,4-trimethylhexane
CID 159659116

Frequently Asked Questions

What is the IUPAC name of (3S)-5-ethyl-3,5-dimethyloctane?
The IUPAC name of (3S)-5-ethyl-3,5-dimethyloctane (CID 143713459) is (3S)-5-ethyl-3,5-dimethyloctane.
What is the SMILES notation for (3S)-5-ethyl-3,5-dimethyloctane?
The canonical SMILES for (3S)-5-ethyl-3,5-dimethyloctane is CCCC(C)(CC)C[C@@H](C)CC.
What is the InChIKey of (3S)-5-ethyl-3,5-dimethyloctane?
The InChIKey is OLBJDMSGRVKJMF-PXYINDEMSA-N. The full InChI is InChI=1S/C12H26/c1-6-9-12(5,8-3)10-11(4)7-2/h11H,6-10H2,1-5H3/t11-,12?/m0/s1.
What are the key properties of (3S)-5-ethyl-3,5-dimethyloctane?
(3S)-5-ethyl-3,5-dimethyloctane has a molecular weight of 170.34 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-ethyl-3,5-dimethyloctane is sourced from PubChem (CID 143713459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).