2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane

C87H174 — CID 165031799

IUPAC2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane
SMILESCC(C)C1(C)CCCC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)C1CCCCCCC1.CC(C)Cc1ccccc1.CCC.[2H]C(C)C.[2H]C([2H])(C(C)C)C(C)(C)C.[2H]C1(C(C)C)CCCCC1
InChIInChI=1S/C11H22.C10H14.C10H20.3C9H18.C8H16.C8H18.C7H14.2C3H8/c1-10(2)11-8-6-4-3-5-7-9-11;1-9(2)8-10-6-4-3-5-7-10;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9(3)6-4-5-7-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2)6-8(3,4)5;1-6(2)7-4-3-5-7;2*1-3-2/h10-11H,3-9H2,1-2H3;3-7,9H,8H2,1-2H3;9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6-7H,3-5H2,1-2H3;2*3H2,1-2H3/i;;;;9D;;;6D2;;3D;
InChIKeyMTQPDFBIEBQXOK-RIZBFLTCSA-N
MW1224.37 g/mol
LogP31.36
Rot. Bonds10

About 2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane

2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane (PubChem CID 165031799) has the molecular formula C87H174 and a molecular weight of 1224.37 g/mol. Its IUPAC name is 2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane.

Molecular Properties

Compound Name2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane
PubChem CID165031799
Molecular FormulaC87H174
Molecular Weight1224.37 g/mol
Exact Mass1223.39
IUPAC Name2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane
SMILESCC(C)C1(C)CCCC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)C1CCCCCCC1.CC(C)Cc1ccccc1.CCC.[2H]C(C)C.[2H]C([2H])(C(C)C)C(C)(C)C.[2H]C1(C(C)C)CCCCC1
InChIInChI=1S/C11H22.C10H14.C10H20.3C9H18.C8H16.C8H18.C7H14.2C3H8/c1-10(2)11-8-6-4-3-5-7-9-11;1-9(2)8-10-6-4-3-5-7-10;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9(3)6-4-5-7-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2)6-8(3,4)5;1-6(2)7-4-3-5-7;2*1-3-2/h10-11H,3-9H2,1-2H3;3-7,9H,8H2,1-2H3;9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6-7H,3-5H2,1-2H3;2*3H2,1-2H3/i;;;;9D;;;6D2;;3D;
InChIKeyMTQPDFBIEBQXOK-RIZBFLTCSA-N
XLogP31.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001224.37
LogP ≤ 531.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane?
The IUPAC name of 2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane (CID 165031799) is 2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane.
What is the SMILES notation for 2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane?
The canonical SMILES for 2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane is CC(C)C1(C)CCCC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)C1CCCCCCC1.CC(C)Cc1ccccc1.CCC.[2H]C(C)C.[2H]C([2H])(C(C)C)C(C)(C)C.[2H]C1(C(C)C)CCCCC1.
What is the InChIKey of 2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane?
The InChIKey is MTQPDFBIEBQXOK-RIZBFLTCSA-N. The full InChI is InChI=1S/C11H22.C10H14.C10H20.3C9H18.C8H16.C8H18.C7H14.2C3H8/c1-10(2)11-8-6-4-3-5-7-9-11;1-9(2)8-10-6-4-3-5-7-10;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9(3)6-4-5-7-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2)6-8(3,4)5;1-6(2)7-4-3-5-7;2*1-3-2/h10-11H,3-9H2,1-2H3;3-7,9H,8H2,1-2H3;9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6-7H,3-5H2,1-2H3;2*3H2,1-2H3/i;;;;9D;;;6D2;;3D;.
What are the key properties of 2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane?
2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane has a molecular weight of 1224.37 g/mol, XLogP of 31.36, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane is sourced from PubChem (CID 165031799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).