ethoxycyclohexane;methane

C9H20O — CID 88922708

IUPACethoxycyclohexane;methane
SMILESC.CCOC1CCCCC1
InChIInChI=1S/C8H16O.CH4/c1-2-9-8-6-4-3-5-7-8;/h8H,2-7H2,1H3;1H4
InChIKeyIXBKKXIDHINVRA-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.99
Rot. Bonds2

About ethoxycyclohexane;methane

ethoxycyclohexane;methane (PubChem CID 88922708) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is ethoxycyclohexane;methane.

Molecular Properties

Compound Nameethoxycyclohexane;methane
PubChem CID88922708
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Nameethoxycyclohexane;methane
SMILESC.CCOC1CCCCC1
InChIInChI=1S/C8H16O.CH4/c1-2-9-8-6-4-3-5-7-8;/h8H,2-7H2,1H3;1H4
InChIKeyIXBKKXIDHINVRA-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethoxycyclohexane;methane?
The IUPAC name of ethoxycyclohexane;methane (CID 88922708) is ethoxycyclohexane;methane.
What is the SMILES notation for ethoxycyclohexane;methane?
The canonical SMILES for ethoxycyclohexane;methane is C.CCOC1CCCCC1.
What is the InChIKey of ethoxycyclohexane;methane?
The InChIKey is IXBKKXIDHINVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.CH4/c1-2-9-8-6-4-3-5-7-8;/h8H,2-7H2,1H3;1H4.
What are the key properties of ethoxycyclohexane;methane?
ethoxycyclohexane;methane has a molecular weight of 144.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycyclohexane;methane is sourced from PubChem (CID 88922708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).