2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane

C14H28 — CID 144667532

IUPAC2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane
SMILESCCC1C(C)(C)CCCC1(C)C(C)C
InChIInChI=1S/C14H28/c1-7-12-13(4,5)9-8-10-14(12,6)11(2)3/h11-12H,7-10H2,1-6H3
InChIKeyKHOMEHBAQVBCOP-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds2

About 2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane

2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane (PubChem CID 144667532) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane
PubChem CID144667532
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane
SMILESCCC1C(C)(C)CCCC1(C)C(C)C
InChIInChI=1S/C14H28/c1-7-12-13(4,5)9-8-10-14(12,6)11(2)3/h11-12H,7-10H2,1-6H3
InChIKeyKHOMEHBAQVBCOP-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 76550157
3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol
CID 142000591
(3S)-3-methyl-3-propan-2-ylpiperidin-2-ol
CID 166749503
1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane
CID 173414387
2,5,5,8a-tetramethyl-1-(2-methylpropyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 162276385
(2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid
CID 11053833
cis-(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexan-1-ol
CID 101364468
cis-(1R,2S)-3,3-dimethyl-1-[(2S)-oxiran-2-yl]-2-[(Z)-pent-2-enyl]cyclohexan-1-ol
CID 101221526
6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 23383570
2-[methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol
CID 71071709
6-[ethyl(2-methylbutyl)amino]-2,2-dimethylcyclohexan-1-ol
CID 79847016
cis-(1S,2S)-1,3,3-trimethyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
CID 132523465

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane?
The IUPAC name of 2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane (CID 144667532) is 2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane.
What is the SMILES notation for 2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane?
The canonical SMILES for 2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane is CCC1C(C)(C)CCCC1(C)C(C)C.
What is the InChIKey of 2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane?
The InChIKey is KHOMEHBAQVBCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-12-13(4,5)9-8-10-14(12,6)11(2)3/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane?
2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane is sourced from PubChem (CID 144667532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).