1-(2,6-dimethylheptyl)-2-ethylcyclohexane

C17H34 — CID 90996573

IUPAC1-(2,6-dimethylheptyl)-2-ethylcyclohexane
SMILESCCC1CCCCC1CC(C)CCCC(C)C
InChIInChI=1S/C17H34/c1-5-16-11-6-7-12-17(16)13-15(4)10-8-9-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyYDXOZVZYXJPIEX-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds7

About 1-(2,6-dimethylheptyl)-2-ethylcyclohexane

1-(2,6-dimethylheptyl)-2-ethylcyclohexane (PubChem CID 90996573) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-(2,6-dimethylheptyl)-2-ethylcyclohexane.

Molecular Properties

Compound Name1-(2,6-dimethylheptyl)-2-ethylcyclohexane
PubChem CID90996573
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-(2,6-dimethylheptyl)-2-ethylcyclohexane
SMILESCCC1CCCCC1CC(C)CCCC(C)C
InChIInChI=1S/C17H34/c1-5-16-11-6-7-12-17(16)13-15(4)10-8-9-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyYDXOZVZYXJPIEX-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-(2-methylbutyl)cyclopentane
CID 144979095
2-[(2R)-2,6-dimethylheptyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
CID 90239508
2-(2,6-dimethylheptyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
CID 90239511
[2-(2-methylpentyl)cyclohexyl]methanamine
CID 81009598
CID 160611346
CID 160611346
1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane
CID 59745597
N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 62267127
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
1-butyl-2-(16,21-dimethyldocosyl)cyclohexane;2,7,25,30-tetramethylhentriacontane;3,8,24,29-tetramethylhentriacontane
CID 160713587
N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine
CID 81027427
(2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol
CID 155010524
N-ethoxy-2-ethylcyclohexan-1-amine
CID 64974958

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylheptyl)-2-ethylcyclohexane?
The IUPAC name of 1-(2,6-dimethylheptyl)-2-ethylcyclohexane (CID 90996573) is 1-(2,6-dimethylheptyl)-2-ethylcyclohexane.
What is the SMILES notation for 1-(2,6-dimethylheptyl)-2-ethylcyclohexane?
The canonical SMILES for 1-(2,6-dimethylheptyl)-2-ethylcyclohexane is CCC1CCCCC1CC(C)CCCC(C)C.
What is the InChIKey of 1-(2,6-dimethylheptyl)-2-ethylcyclohexane?
The InChIKey is YDXOZVZYXJPIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-5-16-11-6-7-12-17(16)13-15(4)10-8-9-14(2)3/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-(2,6-dimethylheptyl)-2-ethylcyclohexane?
1-(2,6-dimethylheptyl)-2-ethylcyclohexane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylheptyl)-2-ethylcyclohexane is sourced from PubChem (CID 90996573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).