1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane

C18H34 — CID 91806901

IUPAC1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane
SMILESCCC(C(C)C)C1(C)CCCC(C2CC2C)C1C
InChIInChI=1S/C18H34/c1-7-17(12(2)3)18(6)10-8-9-15(14(18)5)16-11-13(16)4/h12-17H,7-11H2,1-6H3
InChIKeyBAJYREZGAFBULO-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.77
Rot. Bonds4

About 1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane

1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane (PubChem CID 91806901) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane
PubChem CID91806901
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane
SMILESCCC(C(C)C)C1(C)CCCC(C2CC2C)C1C
InChIInChI=1S/C18H34/c1-7-17(12(2)3)18(6)10-8-9-15(14(18)5)16-11-13(16)4/h12-17H,7-11H2,1-6H3
InChIKeyBAJYREZGAFBULO-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane?
The IUPAC name of 1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane (CID 91806901) is 1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane.
What is the SMILES notation for 1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane?
The canonical SMILES for 1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane is CCC(C(C)C)C1(C)CCCC(C2CC2C)C1C.
What is the InChIKey of 1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane?
The InChIKey is BAJYREZGAFBULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-7-17(12(2)3)18(6)10-8-9-15(14(18)5)16-11-13(16)4/h12-17H,7-11H2,1-6H3.
What are the key properties of 1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane?
1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane has a molecular weight of 250.47 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-methylcyclopropyl)-1-(2-methylpentan-3-yl)cyclohexane is sourced from PubChem (CID 91806901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).