1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane

C16H32 — CID 123700647

IUPAC1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane
SMILESCCCC(C(C)C)C(C)(CC)C1(C)CC1C
InChIInChI=1S/C16H32/c1-8-10-14(12(3)4)15(6,9-2)16(7)11-13(16)5/h12-14H,8-11H2,1-7H3
InChIKeyWIBNOOULQUSKLX-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.52
Rot. Bonds6

About 1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane

1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane (PubChem CID 123700647) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane.

Molecular Properties

Compound Name1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane
PubChem CID123700647
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane
SMILESCCCC(C(C)C)C(C)(CC)C1(C)CC1C
InChIInChI=1S/C16H32/c1-8-10-14(12(3)4)15(6,9-2)16(7)11-13(16)5/h12-14H,8-11H2,1-7H3
InChIKeyWIBNOOULQUSKLX-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane
CID 123741342
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
(3R)-2-methyl-3-(trifluoromethyl)hexane
CID 122598619
3-ethyl-2,2,4-trimethylheptane
CID 22354769
4-ethyl-4-methyl-5-propan-2-yloct-1-ene
CID 123477020
1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane
CID 91265902
bis(3-methylbutan-2-yl)-pentan-2-ylborane
CID 86100466
1-(bromomethyl)-2-methyl-1-(2-methylpentyl)cyclopropane
CID 165445765
6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane
CID 90697710
2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892414
1,2,2,3-tetramethyl-1-pentan-2-ylcyclopentane
CID 123500106
12-tert-butyl-2,6,8,11-tetrachloro-3,7-diethyl-5,9-di(propan-2-yl)pentadecane
CID 175132545

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane?
The IUPAC name of 1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane (CID 123700647) is 1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane.
What is the SMILES notation for 1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane?
The canonical SMILES for 1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane is CCCC(C(C)C)C(C)(CC)C1(C)CC1C.
What is the InChIKey of 1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane?
The InChIKey is WIBNOOULQUSKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-8-10-14(12(3)4)15(6,9-2)16(7)11-13(16)5/h12-14H,8-11H2,1-7H3.
What are the key properties of 1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane?
1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane has a molecular weight of 224.43 g/mol, XLogP of 5.52, 6 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-methyl-4-propan-2-ylheptan-3-yl)cyclopropane is sourced from PubChem (CID 123700647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).