3-methoxy-2,4-dimethyl-3-propan-2-ylpentane

C11H24O — CID 21040430

IUPAC3-methoxy-2,4-dimethyl-3-propan-2-ylpentane
SMILESCOC(C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C11H24O/c1-8(2)11(12-7,9(3)4)10(5)6/h8-10H,1-7H3
InChIKeyDSITWZPXPIGJOS-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.34
Rot. Bonds4

About 3-methoxy-2,4-dimethyl-3-propan-2-ylpentane

3-methoxy-2,4-dimethyl-3-propan-2-ylpentane (PubChem CID 21040430) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3-methoxy-2,4-dimethyl-3-propan-2-ylpentane.

Molecular Properties

Compound Name3-methoxy-2,4-dimethyl-3-propan-2-ylpentane
PubChem CID21040430
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3-methoxy-2,4-dimethyl-3-propan-2-ylpentane
SMILESCOC(C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C11H24O/c1-8(2)11(12-7,9(3)4)10(5)6/h8-10H,1-7H3
InChIKeyDSITWZPXPIGJOS-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4-dimethyl-3-propan-2-ylpentane?
The IUPAC name of 3-methoxy-2,4-dimethyl-3-propan-2-ylpentane (CID 21040430) is 3-methoxy-2,4-dimethyl-3-propan-2-ylpentane.
What is the SMILES notation for 3-methoxy-2,4-dimethyl-3-propan-2-ylpentane?
The canonical SMILES for 3-methoxy-2,4-dimethyl-3-propan-2-ylpentane is COC(C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-methoxy-2,4-dimethyl-3-propan-2-ylpentane?
The InChIKey is DSITWZPXPIGJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-8(2)11(12-7,9(3)4)10(5)6/h8-10H,1-7H3.
What are the key properties of 3-methoxy-2,4-dimethyl-3-propan-2-ylpentane?
3-methoxy-2,4-dimethyl-3-propan-2-ylpentane has a molecular weight of 172.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4-dimethyl-3-propan-2-ylpentane is sourced from PubChem (CID 21040430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).