3-ethyl-3,5-dimethylheptane;methane

C13H32 — CID 167702557

IUPAC3-ethyl-3,5-dimethylheptane;methane
SMILESC.C.CCC(C)CC(C)(CC)CC
InChIInChI=1S/C11H24.2CH4/c1-6-10(4)9-11(5,7-2)8-3;;/h10H,6-9H2,1-5H3;2*1H4
InChIKeyYPSHJUPJUUNZCS-UHFFFAOYSA-N
MW188.40 g/mol
LogP5.52
Rot. Bonds5

About 3-ethyl-3,5-dimethylheptane;methane

3-ethyl-3,5-dimethylheptane;methane (PubChem CID 167702557) has the molecular formula C13H32 and a molecular weight of 188.40 g/mol. Its IUPAC name is 3-ethyl-3,5-dimethylheptane;methane.

Molecular Properties

Compound Name3-ethyl-3,5-dimethylheptane;methane
PubChem CID167702557
Molecular FormulaC13H32
Molecular Weight188.40 g/mol
Exact Mass188.25
IUPAC Name3-ethyl-3,5-dimethylheptane;methane
SMILESC.C.CCC(C)CC(C)(CC)CC
InChIInChI=1S/C11H24.2CH4/c1-6-10(4)9-11(5,7-2)8-3;;/h10H,6-9H2,1-5H3;2*1H4
InChIKeyYPSHJUPJUUNZCS-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.40
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S)-5-ethyl-3,5-dimethyloctane
CID 143713459
ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane
CID 143713458
N,2-diethyl-2,4-dimethylhexan-1-amine
CID 62726078
methane;2,2,4-trimethylhexane
CID 159659116
1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025
N,N-dimethylmethanamine;3-ethyl-3-methylpentane;methane;3-methylpentane;2-methylpropane
CID 158967463
3-fluoro-3,5-dimethylheptane
CID 123257807
azane;2,2,4-trimethylhexane
CID 87634842
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
N,4-diethyl-N,2,4-trimethylhexan-1-amine
CID 123611396
(9S)-3-amino-7-ethyl-7,9-dimethylundecan-2-one
CID 163517546
methane;3-methylpentane
CID 153359275

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,5-dimethylheptane;methane?
The IUPAC name of 3-ethyl-3,5-dimethylheptane;methane (CID 167702557) is 3-ethyl-3,5-dimethylheptane;methane.
What is the SMILES notation for 3-ethyl-3,5-dimethylheptane;methane?
The canonical SMILES for 3-ethyl-3,5-dimethylheptane;methane is C.C.CCC(C)CC(C)(CC)CC.
What is the InChIKey of 3-ethyl-3,5-dimethylheptane;methane?
The InChIKey is YPSHJUPJUUNZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.2CH4/c1-6-10(4)9-11(5,7-2)8-3;;/h10H,6-9H2,1-5H3;2*1H4.
What are the key properties of 3-ethyl-3,5-dimethylheptane;methane?
3-ethyl-3,5-dimethylheptane;methane has a molecular weight of 188.40 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,5-dimethylheptane;methane is sourced from PubChem (CID 167702557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).