1,1,2-tris(2-ethylhexyl)cyclohexane

C30H60 — CID 155657580

IUPAC1,1,2-tris(2-ethylhexyl)cyclohexane
SMILESCCCCC(CC)CC1CCCCC1(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C30H60/c1-7-13-18-26(10-4)23-29-21-16-17-22-30(29,24-27(11-5)19-14-8-2)25-28(12-6)20-15-9-3/h26-29H,7-25H2,1-6H3
InChIKeyNSJVFUQACHUJOI-UHFFFAOYSA-N
MW420.81 g/mol
LogP10.98
Rot. Bonds18

About 1,1,2-tris(2-ethylhexyl)cyclohexane

1,1,2-tris(2-ethylhexyl)cyclohexane (PubChem CID 155657580) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is 1,1,2-tris(2-ethylhexyl)cyclohexane.

Molecular Properties

Compound Name1,1,2-tris(2-ethylhexyl)cyclohexane
PubChem CID155657580
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Name1,1,2-tris(2-ethylhexyl)cyclohexane
SMILESCCCCC(CC)CC1CCCCC1(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C30H60/c1-7-13-18-26(10-4)23-29-21-16-17-22-30(29,24-27(11-5)19-14-8-2)25-28(12-6)20-15-9-3/h26-29H,7-25H2,1-6H3
InChIKeyNSJVFUQACHUJOI-UHFFFAOYSA-N
XLogP10.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-ethylhexoxycarbonyl)-2-(2-ethylhexyl)cyclohexane-1-carboxylic acid
CID 175142682
3,3,4-tris(2-ethylhexyl)cyclohexene
CID 90902266
1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622
1-(2-ethylhexyl)cyclohexan-1-ol
CID 63409044
[1-(2-ethylhexyl)cyclohexyl]methanamine
CID 63522503
1-(2-ethylhexyl)-2-methylcyclohexane-1,3-diamine
CID 175282719
2-(2-ethylhexyl)oxetane
CID 158420180
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
1-(2-ethylhexyl)cyclohexane-1-carbonitrile
CID 65378046
1-(2-ethylhexyl)-4-methylcyclohexan-1-amine
CID 63407642
1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol
CID 65085643
N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine
CID 63492618

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(2-ethylhexyl)cyclohexane?
The IUPAC name of 1,1,2-tris(2-ethylhexyl)cyclohexane (CID 155657580) is 1,1,2-tris(2-ethylhexyl)cyclohexane.
What is the SMILES notation for 1,1,2-tris(2-ethylhexyl)cyclohexane?
The canonical SMILES for 1,1,2-tris(2-ethylhexyl)cyclohexane is CCCCC(CC)CC1CCCCC1(CC(CC)CCCC)CC(CC)CCCC.
What is the InChIKey of 1,1,2-tris(2-ethylhexyl)cyclohexane?
The InChIKey is NSJVFUQACHUJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60/c1-7-13-18-26(10-4)23-29-21-16-17-22-30(29,24-27(11-5)19-14-8-2)25-28(12-6)20-15-9-3/h26-29H,7-25H2,1-6H3.
What are the key properties of 1,1,2-tris(2-ethylhexyl)cyclohexane?
1,1,2-tris(2-ethylhexyl)cyclohexane has a molecular weight of 420.81 g/mol, XLogP of 10.98, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(2-ethylhexyl)cyclohexane is sourced from PubChem (CID 155657580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).