ethane;3-methoxy-4-methyloxane

C9H20O2 — CID 143656491

IUPACethane;3-methoxy-4-methyloxane
SMILESCC.COC1COCCC1C
InChIInChI=1S/C7H14O2.C2H6/c1-6-3-4-9-5-7(6)8-2;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyVJDDXWZFCQHEBI-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.08
Rot. Bonds1

About ethane;3-methoxy-4-methyloxane

ethane;3-methoxy-4-methyloxane (PubChem CID 143656491) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is ethane;3-methoxy-4-methyloxane.

Molecular Properties

Compound Nameethane;3-methoxy-4-methyloxane
PubChem CID143656491
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Nameethane;3-methoxy-4-methyloxane
SMILESCC.COC1COCCC1C
InChIInChI=1S/C7H14O2.C2H6/c1-6-3-4-9-5-7(6)8-2;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyVJDDXWZFCQHEBI-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methoxy-4-methyloxolane
CID 147902074
4-methoxy-5-methyldioxepane
CID 142607563
4-chloro-3-methoxyoxane
CID 130632423
(3S,4R)-3-methoxyoxan-4-amine;hydrochloride
CID 122235837
[(3R,4S)-3-methoxyoxan-4-yl]methanamine
CID 67314237
CID 170573296
CID 170573296
3-methoxy-4-prop-1-en-2-yloxane
CID 163535676
ethane;1-methoxy-2-methylcyclopentane
CID 142110191
1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine
CID 131101922
(3R,5R)-3,4,5-trimethoxyoxane
CID 6428184
(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride
CID 178190292
N-[(3R)-4-methoxyoxan-3-yl]methanimine
CID 158130238

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-4-methyloxane?
The IUPAC name of ethane;3-methoxy-4-methyloxane (CID 143656491) is ethane;3-methoxy-4-methyloxane.
What is the SMILES notation for ethane;3-methoxy-4-methyloxane?
The canonical SMILES for ethane;3-methoxy-4-methyloxane is CC.COC1COCCC1C.
What is the InChIKey of ethane;3-methoxy-4-methyloxane?
The InChIKey is VJDDXWZFCQHEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C2H6/c1-6-3-4-9-5-7(6)8-2;1-2/h6-7H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methoxy-4-methyloxane?
ethane;3-methoxy-4-methyloxane has a molecular weight of 160.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-4-methyloxane is sourced from PubChem (CID 143656491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).