1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane

C13H26 — CID 123430128

IUPAC1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane
SMILESCCCC1CC(C)(C(C)CC)C1C
InChIInChI=1S/C13H26/c1-6-8-12-9-13(5,11(12)4)10(3)7-2/h10-12H,6-9H2,1-5H3
InChIKeyMDIBFWLRWHTEBL-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds4

About 1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane

1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane (PubChem CID 123430128) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane.

Molecular Properties

Compound Name1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane
PubChem CID123430128
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane
SMILESCCCC1CC(C)(C(C)CC)C1C
InChIInChI=1S/C13H26/c1-6-8-12-9-13(5,11(12)4)10(3)7-2/h10-12H,6-9H2,1-5H3
InChIKeyMDIBFWLRWHTEBL-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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

1-butan-2-yl-3-hexyl-1,2-dimethylcyclobutane
CID 123458132
1-butan-2-yl-2-ethyl-1,4-dimethyl-3-propylcyclopentane
CID 123628680
1,1,2,5,5-pentamethyl-3-propylcyclohexane
CID 59420056
2-butan-2-yl-5-ethyl-2-methylbicyclo[2.2.0]hexane
CID 123515409
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid
CID 62388831
1,2-dimethyl-4-propylbicyclo[1.1.1]pentane
CID 91437599
(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane
CID 59033980
1,2-dimethyl-1-(4-methylhexan-2-yl)cyclopropane
CID 123932915
1-(2,3-dimethylpentyl)-2-propylcyclopropane
CID 123708600
ethene;1,1,2-trimethyl-3-propylcyclopentane
CID 145109296
1-methyl-1-propan-2-yl-3-propylcyclobutane
CID 91462890

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane?
The IUPAC name of 1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane (CID 123430128) is 1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane.
What is the SMILES notation for 1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane?
The canonical SMILES for 1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane is CCCC1CC(C)(C(C)CC)C1C.
What is the InChIKey of 1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane?
The InChIKey is MDIBFWLRWHTEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-8-12-9-13(5,11(12)4)10(3)7-2/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane?
1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane is sourced from PubChem (CID 123430128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).