ethane;1-ethyl-4-propylcyclohexane;2-methylpropane

C21H50 — CID 166536374

IUPACethane;1-ethyl-4-propylcyclohexane;2-methylpropane
SMILESCC.CC.CC.CC(C)C.CCCC1CCC(CC)CC1
InChIInChI=1S/C11H22.C4H10.3C2H6/c1-3-5-11-8-6-10(4-2)7-9-11;1-4(2)3;3*1-2/h10-11H,3-9H2,1-2H3;4H,1-3H3;3*1-2H3
InChIKeyOMARZQDVUCOJFP-UHFFFAOYSA-N
MW302.63 g/mol
LogP8.74
Rot. Bonds3

About ethane;1-ethyl-4-propylcyclohexane;2-methylpropane

ethane;1-ethyl-4-propylcyclohexane;2-methylpropane (PubChem CID 166536374) has the molecular formula C21H50 and a molecular weight of 302.63 g/mol. Its IUPAC name is ethane;1-ethyl-4-propylcyclohexane;2-methylpropane.

Molecular Properties

Compound Nameethane;1-ethyl-4-propylcyclohexane;2-methylpropane
PubChem CID166536374
Molecular FormulaC21H50
Molecular Weight302.63 g/mol
Exact Mass302.39
IUPAC Nameethane;1-ethyl-4-propylcyclohexane;2-methylpropane
SMILESCC.CC.CC.CC(C)C.CCCC1CCC(CC)CC1
InChIInChI=1S/C11H22.C4H10.3C2H6/c1-3-5-11-8-6-10(4-2)7-9-11;1-4(2)3;3*1-2/h10-11H,3-9H2,1-2H3;4H,1-3H3;3*1-2H3
InChIKeyOMARZQDVUCOJFP-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.63
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;propane;propylcyclopropane
CID 145406182
ethane;ethylcyclopropane
CID 91380076
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
1,4-dipropylcyclohexane;pentane
CID 90867354
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
4-(4-ethylcyclohexyl)butan-2-ol
CID 64774700
azane;ethylcyclopropane
CID 20975579
1-ethyl-4-(3-methylbutyl)cycloheptane
CID 123171853
(4-propylcyclohexyl)methyl 2-methylpropanoate
CID 175906302
1-(4-ethylcyclohexyl)-4-propylcyclohexan-1-amine
CID 64750303
N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane
CID 156794646

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-propylcyclohexane;2-methylpropane?
The IUPAC name of ethane;1-ethyl-4-propylcyclohexane;2-methylpropane (CID 166536374) is ethane;1-ethyl-4-propylcyclohexane;2-methylpropane.
What is the SMILES notation for ethane;1-ethyl-4-propylcyclohexane;2-methylpropane?
The canonical SMILES for ethane;1-ethyl-4-propylcyclohexane;2-methylpropane is CC.CC.CC.CC(C)C.CCCC1CCC(CC)CC1.
What is the InChIKey of ethane;1-ethyl-4-propylcyclohexane;2-methylpropane?
The InChIKey is OMARZQDVUCOJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C4H10.3C2H6/c1-3-5-11-8-6-10(4-2)7-9-11;1-4(2)3;3*1-2/h10-11H,3-9H2,1-2H3;4H,1-3H3;3*1-2H3.
What are the key properties of ethane;1-ethyl-4-propylcyclohexane;2-methylpropane?
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane has a molecular weight of 302.63 g/mol, XLogP of 8.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-propylcyclohexane;2-methylpropane is sourced from PubChem (CID 166536374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).