1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane

C25H52 — CID 161210516

IUPAC1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane
SMILESC.CC1CCC(C)CC1.CC1CCCC(C)CC1.CC1CCCCC1
InChIInChI=1S/C9H18.C8H16.C7H14.CH4/c1-8-4-3-5-9(2)7-6-8;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;/h8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,2-6H2,1H3;1H4
InChIKeyUWECCURJHNPZRU-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.28
Rot. Bonds

About 1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane

1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane (PubChem CID 161210516) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane.

Molecular Properties

Compound Name1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane
PubChem CID161210516
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane
SMILESC.CC1CCC(C)CC1.CC1CCCC(C)CC1.CC1CCCCC1
InChIInChI=1S/C9H18.C8H16.C7H14.CH4/c1-8-4-3-5-9(2)7-6-8;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;/h8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,2-6H2,1H3;1H4
InChIKeyUWECCURJHNPZRU-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 159112389
methane;methylcyclohexane
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ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;methylcyclopentane
CID 20788572
gallane;methylcyclohexane
CID 174461507
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
cyclooctane;methylcyclobutane
CID 159456217
methylcyclopentane
CID 7296
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane?
The IUPAC name of 1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane (CID 161210516) is 1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane.
What is the SMILES notation for 1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane?
The canonical SMILES for 1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane is C.CC1CCC(C)CC1.CC1CCCC(C)CC1.CC1CCCCC1.
What is the InChIKey of 1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane?
The InChIKey is UWECCURJHNPZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C8H16.C7H14.CH4/c1-8-4-3-5-9(2)7-6-8;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;/h8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,2-6H2,1H3;1H4.
What are the key properties of 1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane?
1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane has a molecular weight of 352.69 g/mol, XLogP of 9.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane is sourced from PubChem (CID 161210516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).