2,2,3,3,4-pentamethyloxane

C10H20O — CID 140691979

IUPAC2,2,3,3,4-pentamethyloxane
SMILESCC1CCOC(C)(C)C1(C)C
InChIInChI=1S/C10H20O/c1-8-6-7-11-10(4,5)9(8,2)3/h8H,6-7H2,1-5H3
InChIKeyKQTQZEWAOOJVLW-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds

About 2,2,3,3,4-pentamethyloxane

2,2,3,3,4-pentamethyloxane (PubChem CID 140691979) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,2,3,3,4-pentamethyloxane.

Molecular Properties

Compound Name2,2,3,3,4-pentamethyloxane
PubChem CID140691979
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,2,3,3,4-pentamethyloxane
SMILESCC1CCOC(C)(C)C1(C)C
InChIInChI=1S/C10H20O/c1-8-6-7-11-10(4,5)9(8,2)3/h8H,6-7H2,1-5H3
InChIKeyKQTQZEWAOOJVLW-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2,3-dimethyl-2-(trifluoromethyl)oxolane
CID 156750340
4-methyl-1-oxa-7-azaspiro[4.4]nonane
CID 57134012
3-cyclopropyl-2,2-dimethyloxolan-3-ol
CID 126990500
(4S)-2,2,4-trimethyl-1,3-dioxane
CID 12587732
ethane;3,3,4-trimethyloxane
CID 145166291
(7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 144757851
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine
CID 130574119
2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
(3R)-5-[(2S,3S)-2,3-dimethyloxolan-2-yl]oxy-3-methylpentan-2-one
CID 6713652
4,5,5,6,6-pentamethyloxan-2-one
CID 134335471
(3aR,7aR)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 11469119

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentamethyloxane?
The IUPAC name of 2,2,3,3,4-pentamethyloxane (CID 140691979) is 2,2,3,3,4-pentamethyloxane.
What is the SMILES notation for 2,2,3,3,4-pentamethyloxane?
The canonical SMILES for 2,2,3,3,4-pentamethyloxane is CC1CCOC(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3,4-pentamethyloxane?
The InChIKey is KQTQZEWAOOJVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8-6-7-11-10(4,5)9(8,2)3/h8H,6-7H2,1-5H3.
What are the key properties of 2,2,3,3,4-pentamethyloxane?
2,2,3,3,4-pentamethyloxane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentamethyloxane is sourced from PubChem (CID 140691979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).