3,3-diethyl-2,2-di(propan-2-yl)oxolane

C14H28O — CID 172853495

IUPAC3,3-diethyl-2,2-di(propan-2-yl)oxolane
SMILESCCC1(CC)CCOC1(C(C)C)C(C)C
InChIInChI=1S/C14H28O/c1-7-13(8-2)9-10-15-14(13,11(3)4)12(5)6/h11-12H,7-10H2,1-6H3
InChIKeyYJRGJUGMNKQIPP-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.26
Rot. Bonds4

About 3,3-diethyl-2,2-di(propan-2-yl)oxolane

3,3-diethyl-2,2-di(propan-2-yl)oxolane (PubChem CID 172853495) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3,3-diethyl-2,2-di(propan-2-yl)oxolane.

Molecular Properties

Compound Name3,3-diethyl-2,2-di(propan-2-yl)oxolane
PubChem CID172853495
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3,3-diethyl-2,2-di(propan-2-yl)oxolane
SMILESCCC1(CC)CCOC1(C(C)C)C(C)C
InChIInChI=1S/C14H28O/c1-7-13(8-2)9-10-15-14(13,11(3)4)12(5)6/h11-12H,7-10H2,1-6H3
InChIKeyYJRGJUGMNKQIPP-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 156888373
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1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
2-tert-butyl-2-ethyloxetane
CID 89426434
1-(2-propyloxetan-2-yl)ethanol
CID 68634857
1-ethyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
CID 3053992
(2-ethyloxetan-2-yl)-trimethoxysilane
CID 67613618
(2R)-2-(2-ethyl-1,3-dioxolan-2-yl)propanal
CID 102311904
2-ethyl-2-propan-2-yl-1,3-oxazinane
CID 21312685
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
[(2S)-2-propan-2-yloxiran-2-yl]methanol
CID 130635963

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-2,2-di(propan-2-yl)oxolane?
The IUPAC name of 3,3-diethyl-2,2-di(propan-2-yl)oxolane (CID 172853495) is 3,3-diethyl-2,2-di(propan-2-yl)oxolane.
What is the SMILES notation for 3,3-diethyl-2,2-di(propan-2-yl)oxolane?
The canonical SMILES for 3,3-diethyl-2,2-di(propan-2-yl)oxolane is CCC1(CC)CCOC1(C(C)C)C(C)C.
What is the InChIKey of 3,3-diethyl-2,2-di(propan-2-yl)oxolane?
The InChIKey is YJRGJUGMNKQIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-7-13(8-2)9-10-15-14(13,11(3)4)12(5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 3,3-diethyl-2,2-di(propan-2-yl)oxolane?
3,3-diethyl-2,2-di(propan-2-yl)oxolane has a molecular weight of 212.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2,2-di(propan-2-yl)oxolane is sourced from PubChem (CID 172853495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).