3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane

C14H30O — CID 90932083

IUPAC3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane
SMILESCCC(C)(C)OCCC(C)(C)C(C)(C)C
InChIInChI=1S/C14H30O/c1-9-14(7,8)15-11-10-13(5,6)12(2,3)4/h9-11H2,1-8H3
InChIKeyNOKUMHXNQBYSPU-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.65
Rot. Bonds5

About 3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane

3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane (PubChem CID 90932083) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane
PubChem CID90932083
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane
SMILESCCC(C)(C)OCCC(C)(C)C(C)(C)C
InChIInChI=1S/C14H30O/c1-9-14(7,8)15-11-10-13(5,6)12(2,3)4/h9-11H2,1-8H3
InChIKeyNOKUMHXNQBYSPU-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,10-bis(2-methylbutan-2-yloxy)decane
CID 171725385
2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane
CID 90873357
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
2-methyl-2-(2-propoxyethoxy)butane
CID 174670155
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245
3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol
CID 123491559
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbutane
CID 89483999
2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyethylcarbamic acid
CID 123941511
1,1,2,2-tetrafluoro-4-(2-methylbutan-2-yloxy)butane-1-sulfonate
CID 176875345
3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane
CID 139480158
2-[2-(2-methylbutan-2-yloxy)ethoxy]ethanamine
CID 103482466
2-methyl-2-propoxyhexane
CID 91043348

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane?
The IUPAC name of 3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane (CID 90932083) is 3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane.
What is the SMILES notation for 3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane?
The canonical SMILES for 3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane is CCC(C)(C)OCCC(C)(C)C(C)(C)C.
What is the InChIKey of 3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane?
The InChIKey is NOKUMHXNQBYSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-9-14(7,8)15-11-10-13(5,6)12(2,3)4/h9-11H2,1-8H3.
What are the key properties of 3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane?
3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane has a molecular weight of 214.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane is sourced from PubChem (CID 90932083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).