ethane;2,3,3-trimethyloxane

C10H22O — CID 142059544

IUPACethane;2,3,3-trimethyloxane
SMILESCC.CC1OCCCC1(C)C
InChIInChI=1S/C8H16O.C2H6/c1-7-8(2,3)5-4-6-9-7;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyVXHPWBHCIKFIOJ-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds

About ethane;2,3,3-trimethyloxane

ethane;2,3,3-trimethyloxane (PubChem CID 142059544) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is ethane;2,3,3-trimethyloxane.

Molecular Properties

Compound Nameethane;2,3,3-trimethyloxane
PubChem CID142059544
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Nameethane;2,3,3-trimethyloxane
SMILESCC.CC1OCCCC1(C)C
InChIInChI=1S/C8H16O.C2H6/c1-7-8(2,3)5-4-6-9-7;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyVXHPWBHCIKFIOJ-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-2-methyloxane
CID 146204349
3-(bromomethyl)-2,3-dimethyloxolane
CID 114536016
2-methyloxirane;1,1,2-trimethylcyclohexane
CID 20977929
1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane
CID 126974799
ethane;2-methyl-1,3-oxazinane
CID 142204498
3-(bromomethyl)-3-ethyl-2-methyloxolane
CID 114535961
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
(2,6-dimethyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanamine
CID 130583877
N-ethyl-2,3-dimethyloxolan-3-amine
CID 103581198
(8S)-2,3,3,7,7,8-hexamethylazocane
CID 89004687
(2S,3R)-3-(methoxymethyl)-2-methyloxocan-3-ol
CID 15853495
N-(cyclobutylmethyl)-2,3-dimethyloxolan-3-amine
CID 103581449

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,3-trimethyloxane?
The IUPAC name of ethane;2,3,3-trimethyloxane (CID 142059544) is ethane;2,3,3-trimethyloxane.
What is the SMILES notation for ethane;2,3,3-trimethyloxane?
The canonical SMILES for ethane;2,3,3-trimethyloxane is CC.CC1OCCCC1(C)C.
What is the InChIKey of ethane;2,3,3-trimethyloxane?
The InChIKey is VXHPWBHCIKFIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H6/c1-7-8(2,3)5-4-6-9-7;1-2/h7H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2,3,3-trimethyloxane?
ethane;2,3,3-trimethyloxane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,3-trimethyloxane is sourced from PubChem (CID 142059544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).