ethane;3-propan-2-yloxane

C10H22O — CID 143985480

IUPACethane;3-propan-2-yloxane
SMILESCC.CC(C)C1CCCOC1
InChIInChI=1S/C8H16O.C2H6/c1-7(2)8-4-3-5-9-6-8;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyYRMHMPPUTOERHX-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.10
Rot. Bonds1

About ethane;3-propan-2-yloxane

ethane;3-propan-2-yloxane (PubChem CID 143985480) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is ethane;3-propan-2-yloxane.

Molecular Properties

Compound Nameethane;3-propan-2-yloxane
PubChem CID143985480
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Nameethane;3-propan-2-yloxane
SMILESCC.CC(C)C1CCCOC1
InChIInChI=1S/C8H16O.C2H6/c1-7(2)8-4-3-5-9-6-8;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyYRMHMPPUTOERHX-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane
CID 163492322
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
bis(oxan-3-yl)methanamine
CID 107136437
propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane
CID 167674182
3-pentan-3-yloxane
CID 15620798
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
1-fluoro-1-(oxan-3-yl)propan-2-ol
CID 105431923
2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 120547811
N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine
CID 107139092
3-tert-butyloxolane;ethane;propan-2-ylcyclobutane
CID 160519713
4-(oxan-3-yl)pentan-2-ol
CID 107137854

Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-yloxane?
The IUPAC name of ethane;3-propan-2-yloxane (CID 143985480) is ethane;3-propan-2-yloxane.
What is the SMILES notation for ethane;3-propan-2-yloxane?
The canonical SMILES for ethane;3-propan-2-yloxane is CC.CC(C)C1CCCOC1.
What is the InChIKey of ethane;3-propan-2-yloxane?
The InChIKey is YRMHMPPUTOERHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H6/c1-7(2)8-4-3-5-9-6-8;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;3-propan-2-yloxane?
ethane;3-propan-2-yloxane has a molecular weight of 158.28 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propan-2-yloxane is sourced from PubChem (CID 143985480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).