4,5-dimethylheptan-2-ylcyclobutane

C13H26 — CID 123660607

IUPAC4,5-dimethylheptan-2-ylcyclobutane
SMILESCCC(C)C(C)CC(C)C1CCC1
InChIInChI=1S/C13H26/c1-5-10(2)11(3)9-12(4)13-7-6-8-13/h10-13H,5-9H2,1-4H3
InChIKeyQMZJKHDUNGJMTD-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds5

About 4,5-dimethylheptan-2-ylcyclobutane

4,5-dimethylheptan-2-ylcyclobutane (PubChem CID 123660607) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 4,5-dimethylheptan-2-ylcyclobutane.

Molecular Properties

Compound Name4,5-dimethylheptan-2-ylcyclobutane
PubChem CID123660607
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name4,5-dimethylheptan-2-ylcyclobutane
SMILESCCC(C)C(C)CC(C)C1CCC1
InChIInChI=1S/C13H26/c1-5-10(2)11(3)9-12(4)13-7-6-8-13/h10-13H,5-9H2,1-4H3
InChIKeyQMZJKHDUNGJMTD-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane
CID 123949424
ethane;4-methylpentan-2-ylcyclobutane
CID 158871771
butan-2-ylcyclohexadecane
CID 123713671
butan-2-ylcyclopentane;ethane
CID 143236269
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine
CID 167083004
1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane
CID 123406141
butan-2-ylcyclohexane;ethane
CID 143005290
butan-2-ylcyclohexane;ethane;propane
CID 143477078
4-cyclohexyl-N-ethylpentan-2-amine
CID 64718542
[2-(cyclopropylmethyl)-3-methylpentyl]cyclobutane
CID 57296236
(1-chloro-2-methylbutyl)cycloheptane
CID 130480756

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylheptan-2-ylcyclobutane?
The IUPAC name of 4,5-dimethylheptan-2-ylcyclobutane (CID 123660607) is 4,5-dimethylheptan-2-ylcyclobutane.
What is the SMILES notation for 4,5-dimethylheptan-2-ylcyclobutane?
The canonical SMILES for 4,5-dimethylheptan-2-ylcyclobutane is CCC(C)C(C)CC(C)C1CCC1.
What is the InChIKey of 4,5-dimethylheptan-2-ylcyclobutane?
The InChIKey is QMZJKHDUNGJMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-10(2)11(3)9-12(4)13-7-6-8-13/h10-13H,5-9H2,1-4H3.
What are the key properties of 4,5-dimethylheptan-2-ylcyclobutane?
4,5-dimethylheptan-2-ylcyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylheptan-2-ylcyclobutane is sourced from PubChem (CID 123660607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).