2-tert-butyl-3,4,4,5,6-pentamethyloxane

C14H28O — CID 22960812

IUPAC2-tert-butyl-3,4,4,5,6-pentamethyloxane
SMILESCC1OC(C(C)(C)C)C(C)C(C)(C)C1C
InChIInChI=1S/C14H28O/c1-9-11(3)15-12(13(4,5)6)10(2)14(9,7)8/h9-12H,1-8H3
InChIKeyLBXWKMLGCXKTNE-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.12
Rot. Bonds

About 2-tert-butyl-3,4,4,5,6-pentamethyloxane

2-tert-butyl-3,4,4,5,6-pentamethyloxane (PubChem CID 22960812) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-tert-butyl-3,4,4,5,6-pentamethyloxane.

Molecular Properties

Compound Name2-tert-butyl-3,4,4,5,6-pentamethyloxane
PubChem CID22960812
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2-tert-butyl-3,4,4,5,6-pentamethyloxane
SMILESCC1OC(C(C)(C)C)C(C)C(C)(C)C1C
InChIInChI=1S/C14H28O/c1-9-11(3)15-12(13(4,5)6)10(2)14(9,7)8/h9-12H,1-8H3
InChIKeyLBXWKMLGCXKTNE-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 114530
5-isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
CID 45274957
2H-Pyran, 3-heptyltetrahydro-
CID 68443944
1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane
CID 18974564
1-Methoxy-4-tert-pentylcyclohexane
CID 3420996
Thromboxane
CID 114873
1-Tert-butyl-4-methoxycyclohexane
CID 139997
2-Tert-butyloxane
CID 21482440
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
Cyclohexane, (1-ethoxy-1-methylethyl)-
CID 175128
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
(2R,3S)-2-octyl-3-pentyloxane
CID 22102069

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4,4,5,6-pentamethyloxane?
The IUPAC name of 2-tert-butyl-3,4,4,5,6-pentamethyloxane (CID 22960812) is 2-tert-butyl-3,4,4,5,6-pentamethyloxane.
What is the SMILES notation for 2-tert-butyl-3,4,4,5,6-pentamethyloxane?
The canonical SMILES for 2-tert-butyl-3,4,4,5,6-pentamethyloxane is CC1OC(C(C)(C)C)C(C)C(C)(C)C1C.
What is the InChIKey of 2-tert-butyl-3,4,4,5,6-pentamethyloxane?
The InChIKey is LBXWKMLGCXKTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-9-11(3)15-12(13(4,5)6)10(2)14(9,7)8/h9-12H,1-8H3.
What are the key properties of 2-tert-butyl-3,4,4,5,6-pentamethyloxane?
2-tert-butyl-3,4,4,5,6-pentamethyloxane has a molecular weight of 212.38 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4,4,5,6-pentamethyloxane is sourced from PubChem (CID 22960812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).