1,3-diethylcyclohexane;hexane;3-methylheptane

C24H52 — CID 164992405

IUPAC1,3-diethylcyclohexane;hexane;3-methylheptane
SMILESCCC1CCCC(CC)C1.CCCCC(C)CC.CCCCCC
InChIInChI=1S/C10H20.C8H18.C6H14/c1-3-9-6-5-7-10(4-2)8-9;1-4-6-7-8(3)5-2;1-3-5-6-4-2/h9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;3-6H2,1-2H3
InChIKeyHAVWHQKZBYBYGT-UHFFFAOYSA-N
MW340.68 g/mol
LogP9.42
Rot. Bonds9

About 1,3-diethylcyclohexane;hexane;3-methylheptane

1,3-diethylcyclohexane;hexane;3-methylheptane (PubChem CID 164992405) has the molecular formula C24H52 and a molecular weight of 340.68 g/mol. Its IUPAC name is 1,3-diethylcyclohexane;hexane;3-methylheptane.

Molecular Properties

Compound Name1,3-diethylcyclohexane;hexane;3-methylheptane
PubChem CID164992405
Molecular FormulaC24H52
Molecular Weight340.68 g/mol
Exact Mass340.41
IUPAC Name1,3-diethylcyclohexane;hexane;3-methylheptane
SMILESCCC1CCCC(CC)C1.CCCCC(C)CC.CCCCCC
InChIInChI=1S/C10H20.C8H18.C6H14/c1-3-9-6-5-7-10(4-2)8-9;1-4-6-7-8(3)5-2;1-3-5-6-4-2/h9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;3-6H2,1-2H3
InChIKeyHAVWHQKZBYBYGT-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.68
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane
CID 144926109
3-methylheptane;octane
CID 144782281
3-methylheptane;nickel
CID 158967838
1-(3-ethylcyclohexyl)-N-propan-2-ylpentan-1-amine
CID 79411539
2,3-dimethylbutane;3-methylundecane
CID 173307544
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
calcium;hydride;3-methylheptane
CID 174879723
(3R,6S)-3,6-dimethyldecane
CID 170848353
(3R)-3-methyltetracosane
CID 162842417

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylcyclohexane;hexane;3-methylheptane?
The IUPAC name of 1,3-diethylcyclohexane;hexane;3-methylheptane (CID 164992405) is 1,3-diethylcyclohexane;hexane;3-methylheptane.
What is the SMILES notation for 1,3-diethylcyclohexane;hexane;3-methylheptane?
The canonical SMILES for 1,3-diethylcyclohexane;hexane;3-methylheptane is CCC1CCCC(CC)C1.CCCCC(C)CC.CCCCCC.
What is the InChIKey of 1,3-diethylcyclohexane;hexane;3-methylheptane?
The InChIKey is HAVWHQKZBYBYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C8H18.C6H14/c1-3-9-6-5-7-10(4-2)8-9;1-4-6-7-8(3)5-2;1-3-5-6-4-2/h9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;3-6H2,1-2H3.
What are the key properties of 1,3-diethylcyclohexane;hexane;3-methylheptane?
1,3-diethylcyclohexane;hexane;3-methylheptane has a molecular weight of 340.68 g/mol, XLogP of 9.42, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylcyclohexane;hexane;3-methylheptane is sourced from PubChem (CID 164992405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).