7-(2-methylprop-2-enoxy)heptan-1-ol

C11H22O2 — CID 19780195

IUPAC7-(2-methylprop-2-enoxy)heptan-1-ol
SMILESC=C(C)COCCCCCCCO
InChIInChI=1S/C11H22O2/c1-11(2)10-13-9-7-5-3-4-6-8-12/h12H,1,3-10H2,2H3
InChIKeyPJXGNRXVUGEHMS-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.52
Rot. Bonds9

About 7-(2-methylprop-2-enoxy)heptan-1-ol

7-(2-methylprop-2-enoxy)heptan-1-ol (PubChem CID 19780195) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 7-(2-methylprop-2-enoxy)heptan-1-ol.

Molecular Properties

Compound Name7-(2-methylprop-2-enoxy)heptan-1-ol
PubChem CID19780195
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name7-(2-methylprop-2-enoxy)heptan-1-ol
SMILESC=C(C)COCCCCCCCO
InChIInChI=1S/C11H22O2/c1-11(2)10-13-9-7-5-3-4-6-8-12/h12H,1,3-10H2,2H3
InChIKeyPJXGNRXVUGEHMS-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylprop-2-enoxy)heptan-1-ol?
The IUPAC name of 7-(2-methylprop-2-enoxy)heptan-1-ol (CID 19780195) is 7-(2-methylprop-2-enoxy)heptan-1-ol.
What is the SMILES notation for 7-(2-methylprop-2-enoxy)heptan-1-ol?
The canonical SMILES for 7-(2-methylprop-2-enoxy)heptan-1-ol is C=C(C)COCCCCCCCO.
What is the InChIKey of 7-(2-methylprop-2-enoxy)heptan-1-ol?
The InChIKey is PJXGNRXVUGEHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-11(2)10-13-9-7-5-3-4-6-8-12/h12H,1,3-10H2,2H3.
What are the key properties of 7-(2-methylprop-2-enoxy)heptan-1-ol?
7-(2-methylprop-2-enoxy)heptan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylprop-2-enoxy)heptan-1-ol is sourced from PubChem (CID 19780195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).