2,3,3,4,4-pentamethyl-5-propan-2-yloxolane

C12H24O — CID 21024077

IUPAC2,3,3,4,4-pentamethyl-5-propan-2-yloxolane
SMILESCC(C)C1OC(C)C(C)(C)C1(C)C
InChIInChI=1S/C12H24O/c1-8(2)10-12(6,7)11(4,5)9(3)13-10/h8-10H,1-7H3
InChIKeyWTIDYUBDUBZSSC-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.48
Rot. Bonds1

About 2,3,3,4,4-pentamethyl-5-propan-2-yloxolane

2,3,3,4,4-pentamethyl-5-propan-2-yloxolane (PubChem CID 21024077) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,3,3,4,4-pentamethyl-5-propan-2-yloxolane.

Molecular Properties

Compound Name2,3,3,4,4-pentamethyl-5-propan-2-yloxolane
PubChem CID21024077
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,3,3,4,4-pentamethyl-5-propan-2-yloxolane
SMILESCC(C)C1OC(C)C(C)(C)C1(C)C
InChIInChI=1S/C12H24O/c1-8(2)10-12(6,7)11(4,5)9(3)13-10/h8-10H,1-7H3
InChIKeyWTIDYUBDUBZSSC-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4-pentamethyl-5-propan-2-yloxolane?
The IUPAC name of 2,3,3,4,4-pentamethyl-5-propan-2-yloxolane (CID 21024077) is 2,3,3,4,4-pentamethyl-5-propan-2-yloxolane.
What is the SMILES notation for 2,3,3,4,4-pentamethyl-5-propan-2-yloxolane?
The canonical SMILES for 2,3,3,4,4-pentamethyl-5-propan-2-yloxolane is CC(C)C1OC(C)C(C)(C)C1(C)C.
What is the InChIKey of 2,3,3,4,4-pentamethyl-5-propan-2-yloxolane?
The InChIKey is WTIDYUBDUBZSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-8(2)10-12(6,7)11(4,5)9(3)13-10/h8-10H,1-7H3.
What are the key properties of 2,3,3,4,4-pentamethyl-5-propan-2-yloxolane?
2,3,3,4,4-pentamethyl-5-propan-2-yloxolane has a molecular weight of 184.32 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentamethyl-5-propan-2-yloxolane is sourced from PubChem (CID 21024077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).