ethane;methylcyclohexane;methylcyclopentane

C21H50 — CID 159395989

IUPACethane;methylcyclohexane;methylcyclopentane
SMILESCC.CC.CC.CC.CC1CCCC1.CC1CCCCC1
InChIInChI=1S/C7H14.C6H12.4C2H6/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;4*1-2/h7H,2-6H2,1H3;6H,2-5H2,1H3;4*1-2H3
InChIKeyLMSKYNJTPFJGCQ-UHFFFAOYSA-N
MW302.63 g/mol
LogP8.89
Rot. Bonds

About ethane;methylcyclohexane;methylcyclopentane

ethane;methylcyclohexane;methylcyclopentane (PubChem CID 159395989) has the molecular formula C21H50 and a molecular weight of 302.63 g/mol. Its IUPAC name is ethane;methylcyclohexane;methylcyclopentane.

Molecular Properties

Compound Nameethane;methylcyclohexane;methylcyclopentane
PubChem CID159395989
Molecular FormulaC21H50
Molecular Weight302.63 g/mol
Exact Mass302.39
IUPAC Nameethane;methylcyclohexane;methylcyclopentane
SMILESCC.CC.CC.CC.CC1CCCC1.CC1CCCCC1
InChIInChI=1S/C7H14.C6H12.4C2H6/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;4*1-2/h7H,2-6H2,1H3;6H,2-5H2,1H3;4*1-2H3
InChIKeyLMSKYNJTPFJGCQ-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.63
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methylcyclohexane;dihydrate
CID 144526565
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CID 142966230
ethane;methylcyclohexane;sulfane
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ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;methylcyclopentane
CID 20788572
ethane;methylcyclooctane;molecular hydrogen
CID 142068181
gallane;methylcyclohexane
CID 174461507
methane;methylcyclohexane
CID 143705611
methylcyclopentane
CID 7296
methane;methylcyclobutane;methylcyclohexane;methylcyclopentane
CID 159112389
methylcyclohexane;phosphane;pentahydrochloride
CID 174057866

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclohexane;methylcyclopentane?
The IUPAC name of ethane;methylcyclohexane;methylcyclopentane (CID 159395989) is ethane;methylcyclohexane;methylcyclopentane.
What is the SMILES notation for ethane;methylcyclohexane;methylcyclopentane?
The canonical SMILES for ethane;methylcyclohexane;methylcyclopentane is CC.CC.CC.CC.CC1CCCC1.CC1CCCCC1.
What is the InChIKey of ethane;methylcyclohexane;methylcyclopentane?
The InChIKey is LMSKYNJTPFJGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H12.4C2H6/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;4*1-2/h7H,2-6H2,1H3;6H,2-5H2,1H3;4*1-2H3.
What are the key properties of ethane;methylcyclohexane;methylcyclopentane?
ethane;methylcyclohexane;methylcyclopentane has a molecular weight of 302.63 g/mol, XLogP of 8.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclohexane;methylcyclopentane is sourced from PubChem (CID 159395989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).