1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane

C15H32 — CID 166459720

IUPAC1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane
SMILESCC.CC1CC(C)(CCC(C)C(C)C)C1
InChIInChI=1S/C13H26.C2H6/c1-10(2)12(4)6-7-13(5)8-11(3)9-13;1-2/h10-12H,6-9H2,1-5H3;1-2H3
InChIKeyTVZADTJEKQYAGF-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.52
Rot. Bonds4

About 1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane

1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane (PubChem CID 166459720) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane.

Molecular Properties

Compound Name1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane
PubChem CID166459720
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane
SMILESCC.CC1CC(C)(CCC(C)C(C)C)C1
InChIInChI=1S/C13H26.C2H6/c1-10(2)12(4)6-7-13(5)8-11(3)9-13;1-2/h10-12H,6-9H2,1-5H3;1-2H3
InChIKeyTVZADTJEKQYAGF-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane?
The IUPAC name of 1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane (CID 166459720) is 1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane.
What is the SMILES notation for 1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane?
The canonical SMILES for 1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane is CC.CC1CC(C)(CCC(C)C(C)C)C1.
What is the InChIKey of 1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane?
The InChIKey is TVZADTJEKQYAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.C2H6/c1-10(2)12(4)6-7-13(5)8-11(3)9-13;1-2/h10-12H,6-9H2,1-5H3;1-2H3.
What are the key properties of 1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane?
1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane has a molecular weight of 212.42 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane is sourced from PubChem (CID 166459720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).