(Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol

C11H22O2 — CID 139252342

IUPAC(Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol
SMILESCCCC(/C=C\CO)OC(C)(C)C
InChIInChI=1S/C11H22O2/c1-5-7-10(8-6-9-12)13-11(2,3)4/h6,8,10,12H,5,7,9H2,1-4H3/b8-6-
InChIKeyFQYHRYANOUTBBX-VURMDHGXSA-N
MW186.29 g/mol
LogP2.52
Rot. Bonds5

About (Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol

(Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol (PubChem CID 139252342) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol
PubChem CID139252342
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol
SMILESCCCC(/C=C\CO)OC(C)(C)C
InChIInChI=1S/C11H22O2/c1-5-7-10(8-6-9-12)13-11(2,3)4/h6,8,10,12H,5,7,9H2,1-4H3/b8-6-
InChIKeyFQYHRYANOUTBBX-VURMDHGXSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol?
The IUPAC name of (Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol (CID 139252342) is (Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol.
What is the SMILES notation for (Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol?
The canonical SMILES for (Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol is CCCC(/C=C\CO)OC(C)(C)C.
What is the InChIKey of (Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol?
The InChIKey is FQYHRYANOUTBBX-VURMDHGXSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-7-10(8-6-9-12)13-11(2,3)4/h6,8,10,12H,5,7,9H2,1-4H3/b8-6-.
What are the key properties of (Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol?
(Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(2-methylpropan-2-yl)oxy]hept-2-en-1-ol is sourced from PubChem (CID 139252342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).