ethane;4-methyloxane

C10H24O — CID 142879298

IUPACethane;4-methyloxane
SMILESCC.CC.CC1CCOCC1
InChIInChI=1S/C6H12O.2C2H6/c1-6-2-4-7-5-3-6;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyDPNASMNSQGVWRL-UHFFFAOYSA-N
MW160.30 g/mol
LogP3.49
Rot. Bonds

About ethane;4-methyloxane

ethane;4-methyloxane (PubChem CID 142879298) has the molecular formula C10H24O and a molecular weight of 160.30 g/mol. Its IUPAC name is ethane;4-methyloxane.

Molecular Properties

Compound Nameethane;4-methyloxane
PubChem CID142879298
Molecular FormulaC10H24O
Molecular Weight160.30 g/mol
Exact Mass160.18
IUPAC Nameethane;4-methyloxane
SMILESCC.CC.CC1CCOCC1
InChIInChI=1S/C6H12O.2C2H6/c1-6-2-4-7-5-3-6;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyDPNASMNSQGVWRL-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyloxane?
The IUPAC name of ethane;4-methyloxane (CID 142879298) is ethane;4-methyloxane.
What is the SMILES notation for ethane;4-methyloxane?
The canonical SMILES for ethane;4-methyloxane is CC.CC.CC1CCOCC1.
What is the InChIKey of ethane;4-methyloxane?
The InChIKey is DPNASMNSQGVWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.2C2H6/c1-6-2-4-7-5-3-6;2*1-2/h6H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyloxane?
ethane;4-methyloxane has a molecular weight of 160.30 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyloxane is sourced from PubChem (CID 142879298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).