2,2-dimethyloxane;ethane;3-methylbutan-1-ol

C14H32O2 — CID 178173409

IUPAC2,2-dimethyloxane;ethane;3-methylbutan-1-ol
SMILESCC.CC(C)CCO.CC1(C)CCCCO1
InChIInChI=1S/C7H14O.C5H12O.C2H6/c1-7(2)5-3-4-6-8-7;1-5(2)3-4-6;1-2/h3-6H2,1-2H3;5-6H,3-4H2,1-2H3;1-2H3
InChIKeyNJPFRJBZGGZRLH-UHFFFAOYSA-N
MW232.41 g/mol
LogP4.02
Rot. Bonds2

About 2,2-dimethyloxane;ethane;3-methylbutan-1-ol

2,2-dimethyloxane;ethane;3-methylbutan-1-ol (PubChem CID 178173409) has the molecular formula C14H32O2 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2,2-dimethyloxane;ethane;3-methylbutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyloxane;ethane;3-methylbutan-1-ol
PubChem CID178173409
Molecular FormulaC14H32O2
Molecular Weight232.41 g/mol
Exact Mass232.24
IUPAC Name2,2-dimethyloxane;ethane;3-methylbutan-1-ol
SMILESCC.CC(C)CCO.CC1(C)CCCCO1
InChIInChI=1S/C7H14O.C5H12O.C2H6/c1-7(2)5-3-4-6-8-7;1-5(2)3-4-6;1-2/h3-6H2,1-2H3;5-6H,3-4H2,1-2H3;1-2H3
InChIKeyNJPFRJBZGGZRLH-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyloxane;methanamine
CID 144836185
4-methyl-1-(2-methyloxan-2-yl)pentan-1-one
CID 80685770
ethane;3-methylbutan-1-ol;propane
CID 163391548
5-methyl-1-(2-methyloxan-2-yl)hexan-1-amine
CID 83161178
sodium;hydride;3-methylbutan-1-ol
CID 173128134
2,2-bis(2-methylpropyl)oxane
CID 57237158
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;3-methylbutan-1-ol
CID 175255717
alumane;2,2-bis(2-methylpropyl)oxane
CID 173267840
chloroform;3-methylbutan-1-ol
CID 173101838
18,18-dimethyl-1,4-dioxacyclooctadecan-5-one
CID 118518691
2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane
CID 91549300
N-(1-hydroxy-4-methylpentan-3-yl)-2-methyloxolane-2-carboxamide
CID 103782192

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloxane;ethane;3-methylbutan-1-ol?
The IUPAC name of 2,2-dimethyloxane;ethane;3-methylbutan-1-ol (CID 178173409) is 2,2-dimethyloxane;ethane;3-methylbutan-1-ol.
What is the SMILES notation for 2,2-dimethyloxane;ethane;3-methylbutan-1-ol?
The canonical SMILES for 2,2-dimethyloxane;ethane;3-methylbutan-1-ol is CC.CC(C)CCO.CC1(C)CCCCO1.
What is the InChIKey of 2,2-dimethyloxane;ethane;3-methylbutan-1-ol?
The InChIKey is NJPFRJBZGGZRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C5H12O.C2H6/c1-7(2)5-3-4-6-8-7;1-5(2)3-4-6;1-2/h3-6H2,1-2H3;5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of 2,2-dimethyloxane;ethane;3-methylbutan-1-ol?
2,2-dimethyloxane;ethane;3-methylbutan-1-ol has a molecular weight of 232.41 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxane;ethane;3-methylbutan-1-ol is sourced from PubChem (CID 178173409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).