2-(2,2-dimethylpropyl)oxolane;ethane

C11H24O — CID 155737583

IUPAC2-(2,2-dimethylpropyl)oxolane;ethane
SMILESCC.CC(C)(C)CC1CCCO1
InChIInChI=1S/C9H18O.C2H6/c1-9(2,3)7-8-5-4-6-10-8;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyIGRBTAWZAQLSRQ-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds1

About 2-(2,2-dimethylpropyl)oxolane;ethane

2-(2,2-dimethylpropyl)oxolane;ethane (PubChem CID 155737583) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)oxolane;ethane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)oxolane;ethane
PubChem CID155737583
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2-(2,2-dimethylpropyl)oxolane;ethane
SMILESCC.CC(C)(C)CC1CCCO1
InChIInChI=1S/C9H18O.C2H6/c1-9(2,3)7-8-5-4-6-10-8;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyIGRBTAWZAQLSRQ-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
(2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane
CID 130439180
2-(3-chloro-2,2-dimethylpropyl)oxolane
CID 66059944
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
2-[2-(bromomethyl)-2-methylbutyl]oxolane
CID 66050711
2-cyclopropyl-1-(oxolan-2-yl)propan-2-amine
CID 82237698
2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
1-(oxolan-2-yl)butane-2,2-diol
CID 141149277
2-methyl-1-(methylamino)-3-(oxolan-2-yl)propan-2-ol
CID 66039601
2-(2,2-dimethylbutyl)-oxacyclononadecane
CID 173129574

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)oxolane;ethane?
The IUPAC name of 2-(2,2-dimethylpropyl)oxolane;ethane (CID 155737583) is 2-(2,2-dimethylpropyl)oxolane;ethane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)oxolane;ethane?
The canonical SMILES for 2-(2,2-dimethylpropyl)oxolane;ethane is CC.CC(C)(C)CC1CCCO1.
What is the InChIKey of 2-(2,2-dimethylpropyl)oxolane;ethane?
The InChIKey is IGRBTAWZAQLSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C2H6/c1-9(2,3)7-8-5-4-6-10-8;1-2/h8H,4-7H2,1-3H3;1-2H3.
What are the key properties of 2-(2,2-dimethylpropyl)oxolane;ethane?
2-(2,2-dimethylpropyl)oxolane;ethane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)oxolane;ethane is sourced from PubChem (CID 155737583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).