1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane

C13H26 — CID 123900503

IUPAC1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane
SMILESCCCC1C(C)C1(C)C(C)C(C)C
InChIInChI=1S/C13H26/c1-7-8-12-11(5)13(12,6)10(4)9(2)3/h9-12H,7-8H2,1-6H3
InChIKeyNUWQAYYVXKDPRK-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds4

About 1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane

1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane (PubChem CID 123900503) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane.

Molecular Properties

Compound Name1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane
PubChem CID123900503
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane
SMILESCCCC1C(C)C1(C)C(C)C(C)C
InChIInChI=1S/C13H26/c1-7-8-12-11(5)13(12,6)10(4)9(2)3/h9-12H,7-8H2,1-6H3
InChIKeyNUWQAYYVXKDPRK-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane
CID 91370264
2-ethyl-1-methyl-1-propan-2-yl-3-propylcyclopropane
CID 123845526
1,1-dichloro-2-methyl-3-propylcyclopropane
CID 13285011
1,1-diethyl-2-methyl-3-propylcyclopropane
CID 140701623
1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane
CID 123738417
1,2-dimethyl-4-propylbicyclo[1.1.1]pentane
CID 91437599
1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane
CID 90870051
ethene;1,1,2-trimethyl-3-propylcyclopentane
CID 145109296
1,1-diethyl-2-propan-2-yl-3-propylcyclopropane
CID 91439664
1-[1,2-dimethyl-3-(4-methylpentyl)cyclopropyl]ethyl-methylidyneazanium
CID 163691639
2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane
CID 123868071
cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane
CID 134889174

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane?
The IUPAC name of 1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane (CID 123900503) is 1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane.
What is the SMILES notation for 1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane?
The canonical SMILES for 1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane is CCCC1C(C)C1(C)C(C)C(C)C.
What is the InChIKey of 1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane?
The InChIKey is NUWQAYYVXKDPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-7-8-12-11(5)13(12,6)10(4)9(2)3/h9-12H,7-8H2,1-6H3.
What are the key properties of 1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane?
1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane is sourced from PubChem (CID 123900503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).