2,2-dimethyl-6-propan-2-yloxane

C10H20O — CID 12641399

IUPAC2,2-dimethyl-6-propan-2-yloxane
SMILESCC(C)C1CCCC(C)(C)O1
InChIInChI=1S/C10H20O/c1-8(2)9-6-5-7-10(3,4)11-9/h8-9H,5-7H2,1-4H3
InChIKeyPTTSWZRZUAKSKY-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds1

About 2,2-dimethyl-6-propan-2-yloxane

2,2-dimethyl-6-propan-2-yloxane (PubChem CID 12641399) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,2-dimethyl-6-propan-2-yloxane.

Molecular Properties

Compound Name2,2-dimethyl-6-propan-2-yloxane
PubChem CID12641399
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,2-dimethyl-6-propan-2-yloxane
SMILESCC(C)C1CCCC(C)(C)O1
InChIInChI=1S/C10H20O/c1-8(2)9-6-5-7-10(3,4)11-9/h8-9H,5-7H2,1-4H3
InChIKeyPTTSWZRZUAKSKY-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-propan-2-yloxane?
The IUPAC name of 2,2-dimethyl-6-propan-2-yloxane (CID 12641399) is 2,2-dimethyl-6-propan-2-yloxane.
What is the SMILES notation for 2,2-dimethyl-6-propan-2-yloxane?
The canonical SMILES for 2,2-dimethyl-6-propan-2-yloxane is CC(C)C1CCCC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-6-propan-2-yloxane?
The InChIKey is PTTSWZRZUAKSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)9-6-5-7-10(3,4)11-9/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-propan-2-yloxane?
2,2-dimethyl-6-propan-2-yloxane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-propan-2-yloxane is sourced from PubChem (CID 12641399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).