ethane;methylcyclohexane;dihydrate

C9H24O2 — CID 144526565

IUPACethane;methylcyclohexane;dihydrate
SMILESCC.CC1CCCCC1.O.O
InChIInChI=1S/C7H14.C2H6.2H2O/c1-7-5-3-2-4-6-7;1-2;;/h7H,2-6H2,1H3;1-2H3;2*1H2
InChIKeyPTDXAAOTTYYCTO-UHFFFAOYSA-N
MW164.29 g/mol
LogP1.96
Rot. Bonds

About ethane;methylcyclohexane;dihydrate

ethane;methylcyclohexane;dihydrate (PubChem CID 144526565) has the molecular formula C9H24O2 and a molecular weight of 164.29 g/mol. Its IUPAC name is ethane;methylcyclohexane;dihydrate.

Molecular Properties

Compound Nameethane;methylcyclohexane;dihydrate
PubChem CID144526565
Molecular FormulaC9H24O2
Molecular Weight164.29 g/mol
Exact Mass164.18
IUPAC Nameethane;methylcyclohexane;dihydrate
SMILESCC.CC1CCCCC1.O.O
InChIInChI=1S/C7H14.C2H6.2H2O/c1-7-5-3-2-4-6-7;1-2;;/h7H,2-6H2,1H3;1-2H3;2*1H2
InChIKeyPTDXAAOTTYYCTO-UHFFFAOYSA-N
XLogP1.96
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methylcyclohexane;methylcyclopentane
CID 159395989
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244
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;dihydrate?
The IUPAC name of ethane;methylcyclohexane;dihydrate (CID 144526565) is ethane;methylcyclohexane;dihydrate.
What is the SMILES notation for ethane;methylcyclohexane;dihydrate?
The canonical SMILES for ethane;methylcyclohexane;dihydrate is CC.CC1CCCCC1.O.O.
What is the InChIKey of ethane;methylcyclohexane;dihydrate?
The InChIKey is PTDXAAOTTYYCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C2H6.2H2O/c1-7-5-3-2-4-6-7;1-2;;/h7H,2-6H2,1H3;1-2H3;2*1H2.
What are the key properties of ethane;methylcyclohexane;dihydrate?
ethane;methylcyclohexane;dihydrate has a molecular weight of 164.29 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclohexane;dihydrate is sourced from PubChem (CID 144526565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).