ethane;4-ethyl-4-propan-2-yloxane

C12H26O — CID 177350688

IUPACethane;4-ethyl-4-propan-2-yloxane
SMILESCC.CCC1(C(C)C)CCOCC1
InChIInChI=1S/C10H20O.C2H6/c1-4-10(9(2)3)5-7-11-8-6-10;1-2/h9H,4-8H2,1-3H3;1-2H3
InChIKeyMJVRDBFUIMPGNJ-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.88
Rot. Bonds2

About ethane;4-ethyl-4-propan-2-yloxane

ethane;4-ethyl-4-propan-2-yloxane (PubChem CID 177350688) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;4-ethyl-4-propan-2-yloxane.

Molecular Properties

Compound Nameethane;4-ethyl-4-propan-2-yloxane
PubChem CID177350688
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Nameethane;4-ethyl-4-propan-2-yloxane
SMILESCC.CCC1(C(C)C)CCOCC1
InChIInChI=1S/C10H20O.C2H6/c1-4-10(9(2)3)5-7-11-8-6-10;1-2/h9H,4-8H2,1-3H3;1-2H3
InChIKeyMJVRDBFUIMPGNJ-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
4-(chloromethyl)-4-pentan-2-yloxane
CID 107893119
4-ethyl-4-(2-methylpropyl)oxane
CID 58432614
4-but-1-ynyl-4-propan-2-yloxane;ethane
CID 178004481
[4-(3-methylbutan-2-yl)oxan-4-yl]methanamine
CID 130647540
ethane;(4-ethyloxan-4-yl)methanol
CID 143573647
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
4-butan-2-yloxan-4-amine
CID 79445166
ethane;2-ethyl-2-propan-2-yloxolane
CID 156888373
ethane;4-ethyl-4-(methoxymethyl)oxane
CID 144557076
4-ethyl-4-propan-2-ylcyclohexene
CID 23385010
4-(bromomethyl)-4-(2-methylpentyl)oxane
CID 66049300

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-4-propan-2-yloxane?
The IUPAC name of ethane;4-ethyl-4-propan-2-yloxane (CID 177350688) is ethane;4-ethyl-4-propan-2-yloxane.
What is the SMILES notation for ethane;4-ethyl-4-propan-2-yloxane?
The canonical SMILES for ethane;4-ethyl-4-propan-2-yloxane is CC.CCC1(C(C)C)CCOCC1.
What is the InChIKey of ethane;4-ethyl-4-propan-2-yloxane?
The InChIKey is MJVRDBFUIMPGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C2H6/c1-4-10(9(2)3)5-7-11-8-6-10;1-2/h9H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethyl-4-propan-2-yloxane?
ethane;4-ethyl-4-propan-2-yloxane has a molecular weight of 186.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-4-propan-2-yloxane is sourced from PubChem (CID 177350688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).