4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane

C12H24O — CID 89397951

IUPAC4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESC=C(CCOC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24O/c1-10(11(2,3)4)8-9-13-12(5,6)7/h1,8-9H2,2-7H3
InChIKeyZNPFCRSWAVSFLO-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.79
Rot. Bonds3

About 4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane

4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 89397951) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID89397951
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESC=C(CCOC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24O/c1-10(11(2,3)4)8-9-13-12(5,6)7/h1,8-9H2,2-7H3
InChIKeyZNPFCRSWAVSFLO-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane (CID 89397951) is 4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane is C=C(CCOC(C)(C)C)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is ZNPFCRSWAVSFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-10(11(2,3)4)8-9-13-12(5,6)7/h1,8-9H2,2-7H3.
What are the key properties of 4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane?
4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 184.32 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-methylidene-1-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 89397951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).