cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane

C52H118 — CID 174511255

IUPACcyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane
SMILESC1CCCCC1.CC(C)CC(C)C.CCC(C)CC.CCC(CC)CC.CCCC(C)C.CCCC(C)C.CCCC(C)CC.CCCCC(C)C
InChIInChI=1S/4C7H16.C6H12.3C6H14/c1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-4-6-7(3)5-2;1-4-7(5-2)6-3;1-2-4-6-5-3-1;2*1-4-5-6(2)3;1-4-6(3)5-2/h6-7H,5H2,1-4H3;3*7H,4-6H2,1-3H3;1-6H2;3*6H,4-5H2,1-3H3
InChIKeyNIVOCAJXDXBWRA-UHFFFAOYSA-N
MW743.52 g/mol
LogP20.85
Rot. Bonds17

About cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane

cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane (PubChem CID 174511255) has the molecular formula C52H118 and a molecular weight of 743.52 g/mol. Its IUPAC name is cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane.

Molecular Properties

Compound Namecyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane
PubChem CID174511255
Molecular FormulaC52H118
Molecular Weight743.52 g/mol
Exact Mass742.92
IUPAC Namecyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane
SMILESC1CCCCC1.CC(C)CC(C)C.CCC(C)CC.CCC(CC)CC.CCCC(C)C.CCCC(C)C.CCCC(C)CC.CCCCC(C)C
InChIInChI=1S/4C7H16.C6H12.3C6H14/c1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-4-6-7(3)5-2;1-4-7(5-2)6-3;1-2-4-6-5-3-1;2*1-4-5-6(2)3;1-4-6(3)5-2/h6-7H,5H2,1-4H3;3*7H,4-6H2,1-3H3;1-6H2;3*6H,4-5H2,1-3H3
InChIKeyNIVOCAJXDXBWRA-UHFFFAOYSA-N
XLogP20.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.52
LogP ≤ 520.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane with MolForge

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Related Compounds

2-methylhexane;3-methylhexane
CID 123646192
3-methylheptane;2-methylpentane
CID 165405793
4-ethylheptane;3-methylheptane
CID 143099611
3-methylhexane;3-methylpentane;pentane
CID 158601477
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
3-methyl-7-propylundecane
CID 123449834
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
2-methyldecane;3-methylheptane;3-methylundecane
CID 91314766
6-ethyl-4-methyldecane
CID 22224210
3-ethylhexane;2-methylhexane;prop-1-ene
CID 144809780
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
3,3-dimethylpentane;heptane;bis(hexane);2-methylheptane;3-methylheptane;3-methylhexane;3-methylpentane
CID 161470196

Frequently Asked Questions

What is the IUPAC name of cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane?
The IUPAC name of cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane (CID 174511255) is cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane.
What is the SMILES notation for cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane?
The canonical SMILES for cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane is C1CCCCC1.CC(C)CC(C)C.CCC(C)CC.CCC(CC)CC.CCCC(C)C.CCCC(C)C.CCCC(C)CC.CCCCC(C)C.
What is the InChIKey of cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane?
The InChIKey is NIVOCAJXDXBWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H16.C6H12.3C6H14/c1-6(2)5-7(3)4;1-4-5-6-7(2)3;1-4-6-7(3)5-2;1-4-7(5-2)6-3;1-2-4-6-5-3-1;2*1-4-5-6(2)3;1-4-6(3)5-2/h6-7H,5H2,1-4H3;3*7H,4-6H2,1-3H3;1-6H2;3*6H,4-5H2,1-3H3.
What are the key properties of cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane?
cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane has a molecular weight of 743.52 g/mol, XLogP of 20.85, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane is sourced from PubChem (CID 174511255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).