4-butan-2-yl-2,3,5,6-tetramethylheptane

C15H32 — CID 123598520

IUPAC4-butan-2-yl-2,3,5,6-tetramethylheptane
SMILESCCC(C)C(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C15H32/c1-9-12(6)15(13(7)10(2)3)14(8)11(4)5/h10-15H,9H2,1-8H3
InChIKeyWVNIBCUZNOELRL-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.23
Rot. Bonds6

About 4-butan-2-yl-2,3,5,6-tetramethylheptane

4-butan-2-yl-2,3,5,6-tetramethylheptane (PubChem CID 123598520) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 4-butan-2-yl-2,3,5,6-tetramethylheptane.

Molecular Properties

Compound Name4-butan-2-yl-2,3,5,6-tetramethylheptane
PubChem CID123598520
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name4-butan-2-yl-2,3,5,6-tetramethylheptane
SMILESCCC(C)C(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C15H32/c1-9-12(6)15(13(7)10(2)3)14(8)11(4)5/h10-15H,9H2,1-8H3
InChIKeyWVNIBCUZNOELRL-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4S)-2,3,4-trimethylhexane
CID 58359072
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2,3-dimethylpentane;ethane;methane
CID 143379754
6-butan-2-yl-2,3,4,5,7-pentamethyldecane
CID 123624469
2,3-dimethylbutane;2,3-dimethylpentane;methanethiol
CID 171505915
(3R)-2,3-dimethylpentane;ethane;ethene
CID 178131669
cyclobutane;2,3-dimethylpentane
CID 145154125
3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
CID 57493037
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
5,6-dimethyl-4-propan-2-ylheptane-3-thiol
CID 142722743
2,3,5,6-tetramethyloctane-4-thiol
CID 139387047
7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane
CID 90819140

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2,3,5,6-tetramethylheptane?
The IUPAC name of 4-butan-2-yl-2,3,5,6-tetramethylheptane (CID 123598520) is 4-butan-2-yl-2,3,5,6-tetramethylheptane.
What is the SMILES notation for 4-butan-2-yl-2,3,5,6-tetramethylheptane?
The canonical SMILES for 4-butan-2-yl-2,3,5,6-tetramethylheptane is CCC(C)C(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of 4-butan-2-yl-2,3,5,6-tetramethylheptane?
The InChIKey is WVNIBCUZNOELRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-9-12(6)15(13(7)10(2)3)14(8)11(4)5/h10-15H,9H2,1-8H3.
What are the key properties of 4-butan-2-yl-2,3,5,6-tetramethylheptane?
4-butan-2-yl-2,3,5,6-tetramethylheptane has a molecular weight of 212.42 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2,3,5,6-tetramethylheptane is sourced from PubChem (CID 123598520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).