1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane

C17H34 — CID 123172100

IUPAC1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane
SMILESCCC(CCC(C)C)C1CCC1(C)C(C)CC
InChIInChI=1S/C17H34/c1-7-14(5)17(6)12-11-16(17)15(8-2)10-9-13(3)4/h13-16H,7-12H2,1-6H3
InChIKeyNNDPTGAJYVROBM-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.91
Rot. Bonds7

About 1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane

1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane (PubChem CID 123172100) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane.

Molecular Properties

Compound Name1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane
PubChem CID123172100
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane
SMILESCCC(CCC(C)C)C1CCC1(C)C(C)CC
InChIInChI=1S/C17H34/c1-7-14(5)17(6)12-11-16(17)15(8-2)10-9-13(3)4/h13-16H,7-12H2,1-6H3
InChIKeyNNDPTGAJYVROBM-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane?
The IUPAC name of 1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane (CID 123172100) is 1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane.
What is the SMILES notation for 1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane?
The canonical SMILES for 1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane is CCC(CCC(C)C)C1CCC1(C)C(C)CC.
What is the InChIKey of 1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane?
The InChIKey is NNDPTGAJYVROBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-7-14(5)17(6)12-11-16(17)15(8-2)10-9-13(3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of 1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane?
1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane has a molecular weight of 238.46 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1-methyl-2-(6-methylheptan-3-yl)cyclobutane is sourced from PubChem (CID 123172100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).