3-ethyl-2,2-dimethylheptane

C11H24 — CID 20686447

IUPAC3-ethyl-2,2-dimethylheptane
SMILESCCCCC(CC)C(C)(C)C
InChIInChI=1S/C11H24/c1-6-8-9-10(7-2)11(3,4)5/h10H,6-9H2,1-5H3
InChIKeySBWMIVQVGGUMCE-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.25
Rot. Bonds4

About 3-ethyl-2,2-dimethylheptane

3-ethyl-2,2-dimethylheptane (PubChem CID 20686447) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethylheptane.

Molecular Properties

Compound Name3-ethyl-2,2-dimethylheptane
PubChem CID20686447
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name3-ethyl-2,2-dimethylheptane
SMILESCCCCC(CC)C(C)(C)C
InChIInChI=1S/C11H24/c1-6-8-9-10(7-2)11(3,4)5/h10H,6-9H2,1-5H3
InChIKeySBWMIVQVGGUMCE-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-tert-butylundecane
CID 90714582
2-chloro-3-ethyl-2-methylheptane
CID 141208623
9-tert-butylhenicosane
CID 150708915
5-tert-butylnonane;7-tert-butyltridecane;5-tert-butylundecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;3-ethyl-2,2-dimethylheptane
CID 157082201
(4-ethyl-3-phosphanyloctan-3-yl)phosphane
CID 174710996
(3S)-2,2-dimethyl-3-(2-methylsulfanylethyl)heptane
CID 134572286
(3-ethyl-2-methylheptan-2-yl)oxysilane
CID 172694489
3-ethyl-4,4-dimethylpentan-1-amine
CID 134419150
[3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane
CID 90111416
2-tert-butyl-N-propylhexan-1-amine
CID 83138918
9-tert-butyl-14-octyldocosane
CID 166495626
2-tert-butyl-N-(2-methylpropyl)hexan-1-amine
CID 83138560

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-dimethylheptane?
The IUPAC name of 3-ethyl-2,2-dimethylheptane (CID 20686447) is 3-ethyl-2,2-dimethylheptane.
What is the SMILES notation for 3-ethyl-2,2-dimethylheptane?
The canonical SMILES for 3-ethyl-2,2-dimethylheptane is CCCCC(CC)C(C)(C)C.
What is the InChIKey of 3-ethyl-2,2-dimethylheptane?
The InChIKey is SBWMIVQVGGUMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24/c1-6-8-9-10(7-2)11(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-2,2-dimethylheptane?
3-ethyl-2,2-dimethylheptane has a molecular weight of 156.31 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-dimethylheptane is sourced from PubChem (CID 20686447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).