1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane

C39H74F2 — CID 158623769

IUPAC1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane
SMILESCC1(C)CC1.CC1(C)CCC1.CC1(C2CC2)CC1.CC1CCC(C)(C)CC1.CC1CCC(F)(F)C1.CC1CCCC1
InChIInChI=1S/C9H18.C7H12.C6H10F2.2C6H12.C5H10/c1-8-4-6-9(2,3)7-5-8;1-7(4-5-7)6-2-3-6;1-5-2-3-6(7,8)4-5;1-6(2)4-3-5-6;1-6-4-2-3-5-6;1-5(2)3-4-5/h8H,4-7H2,1-3H3;6H,2-5H2,1H3;5H,2-4H2,1H3;3-5H2,1-2H3;6H,2-5H2,1H3;3-4H2,1-2H3
InChIKeyHYIDXQALRRATGO-UHFFFAOYSA-N
MW581.02 g/mol
LogP14.06
Rot. Bonds1

About 1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane

1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane (PubChem CID 158623769) has the molecular formula C39H74F2 and a molecular weight of 581.02 g/mol. Its IUPAC name is 1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane.

Molecular Properties

Compound Name1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane
PubChem CID158623769
Molecular FormulaC39H74F2
Molecular Weight581.02 g/mol
Exact Mass580.58
IUPAC Name1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane
SMILESCC1(C)CC1.CC1(C)CCC1.CC1(C2CC2)CC1.CC1CCC(C)(C)CC1.CC1CCC(F)(F)C1.CC1CCCC1
InChIInChI=1S/C9H18.C7H12.C6H10F2.2C6H12.C5H10/c1-8-4-6-9(2,3)7-5-8;1-7(4-5-7)6-2-3-6;1-5-2-3-6(7,8)4-5;1-6(2)4-3-5-6;1-6-4-2-3-5-6;1-5(2)3-4-5/h8H,4-7H2,1-3H3;6H,2-5H2,1H3;5H,2-4H2,1H3;3-5H2,1-2H3;6H,2-5H2,1H3;3-4H2,1-2H3
InChIKeyHYIDXQALRRATGO-UHFFFAOYSA-N
XLogP14.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.02
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane?
The IUPAC name of 1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane (CID 158623769) is 1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane.
What is the SMILES notation for 1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane?
The canonical SMILES for 1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane is CC1(C)CC1.CC1(C)CCC1.CC1(C2CC2)CC1.CC1CCC(C)(C)CC1.CC1CCC(F)(F)C1.CC1CCCC1.
What is the InChIKey of 1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane?
The InChIKey is HYIDXQALRRATGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C7H12.C6H10F2.2C6H12.C5H10/c1-8-4-6-9(2,3)7-5-8;1-7(4-5-7)6-2-3-6;1-5-2-3-6(7,8)4-5;1-6(2)4-3-5-6;1-6-4-2-3-5-6;1-5(2)3-4-5/h8H,4-7H2,1-3H3;6H,2-5H2,1H3;5H,2-4H2,1H3;3-5H2,1-2H3;6H,2-5H2,1H3;3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane?
1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane has a molecular weight of 581.02 g/mol, XLogP of 14.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methylcyclopropane;1,1-difluoro-3-methylcyclopentane;1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;methylcyclopentane;1,1,4-trimethylcyclohexane is sourced from PubChem (CID 158623769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).