5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane

C28H60 — CID 143342016

IUPAC5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane
SMILESCCC.CCC.CCCC1CC(C(CC(C)CC)C(C)C)CC(C(C)C)C1C
InChIInChI=1S/C22H44.2C3H8/c1-9-11-19-13-20(14-21(15(3)4)18(19)8)22(16(5)6)12-17(7)10-2;2*1-3-2/h15-22H,9-14H2,1-8H3;2*3H2,1-2H3
InChIKeyYWRULNQSJBLKHE-UHFFFAOYSA-N
MW396.79 g/mol
LogP10.26
Rot. Bonds8

About 5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane

5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane (PubChem CID 143342016) has the molecular formula C28H60 and a molecular weight of 396.79 g/mol. Its IUPAC name is 5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane.

Molecular Properties

Compound Name5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane
PubChem CID143342016
Molecular FormulaC28H60
Molecular Weight396.79 g/mol
Exact Mass396.47
IUPAC Name5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane
SMILESCCC.CCC.CCCC1CC(C(CC(C)CC)C(C)C)CC(C(C)C)C1C
InChIInChI=1S/C22H44.2C3H8/c1-9-11-19-13-20(14-21(15(3)4)18(19)8)22(16(5)6)12-17(7)10-2;2*1-3-2/h15-22H,9-14H2,1-8H3;2*3H2,1-2H3
InChIKeyYWRULNQSJBLKHE-UHFFFAOYSA-N
XLogP10.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.79
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane
CID 123429129
2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane
CID 90789803
1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane
CID 90869417
1-(2-methylbutyl)-2-propylcyclopropane
CID 90912055
1-methyl-4-propan-2-yl-2-propylcyclohexane
CID 91031299
2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane
CID 123619623
1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane
CID 123367002
1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 143694903
1-(2-methylbutyl)-2-propylcyclobutane
CID 90731668
1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763
1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane
CID 91069892
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane?
The IUPAC name of 5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane (CID 143342016) is 5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane.
What is the SMILES notation for 5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane?
The canonical SMILES for 5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane is CCC.CCC.CCCC1CC(C(CC(C)CC)C(C)C)CC(C(C)C)C1C.
What is the InChIKey of 5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane?
The InChIKey is YWRULNQSJBLKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44.2C3H8/c1-9-11-19-13-20(14-21(15(3)4)18(19)8)22(16(5)6)12-17(7)10-2;2*1-3-2/h15-22H,9-14H2,1-8H3;2*3H2,1-2H3.
What are the key properties of 5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane?
5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane has a molecular weight of 396.79 g/mol, XLogP of 10.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylheptan-3-yl)-2-methyl-1-propan-2-yl-3-propylcyclohexane;propane is sourced from PubChem (CID 143342016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).