1-oct-1-enoxypropan-1-ol

C11H22O2 — CID 166065599

IUPAC1-oct-1-enoxypropan-1-ol
SMILESCCCCCCC=COC(O)CC
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h9-12H,3-8H2,1-2H3
InChIKeyDDNZPUNREFKHAW-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.22
Rot. Bonds8

About 1-oct-1-enoxypropan-1-ol

1-oct-1-enoxypropan-1-ol (PubChem CID 166065599) has the molecular formula C11H22O2 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-oct-1-enoxypropan-1-ol.

Molecular Properties

Compound Name1-oct-1-enoxypropan-1-ol
PubChem CID166065599
Molecular FormulaC11H22O2
Molecular Weight186.30 g/mol
Exact Mass186.16
IUPAC Name1-oct-1-enoxypropan-1-ol
SMILESCCCCCCC=COC(O)CC
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h9-12H,3-8H2,1-2H3
InChIKeyDDNZPUNREFKHAW-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-octadec-1-enoxyoctadec-9-en-1-ol
CID 173127737
1-[(E)-dec-1-enoxy]ethanol
CID 19982776
1-hydroperoxyundec-1-ene
CID 140553152
1-(1-ethenoxypropoxy)dec-1-ene
CID 74010568
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
1-triacont-1-enoxytriacont-1-ene
CID 173373575
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
1-hydroxypropyl undec-2-enoate
CID 176894989
(Z)-1-methoxydec-1-ene
CID 10888349
(E)-1-methoxyoct-1-ene
CID 10964624
(E)-1-methoxytridec-1-ene
CID 87204968

Frequently Asked Questions

What is the IUPAC name of 1-oct-1-enoxypropan-1-ol?
The IUPAC name of 1-oct-1-enoxypropan-1-ol (CID 166065599) is 1-oct-1-enoxypropan-1-ol.
What is the SMILES notation for 1-oct-1-enoxypropan-1-ol?
The canonical SMILES for 1-oct-1-enoxypropan-1-ol is CCCCCCC=COC(O)CC.
What is the InChIKey of 1-oct-1-enoxypropan-1-ol?
The InChIKey is DDNZPUNREFKHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-oct-1-enoxypropan-1-ol?
1-oct-1-enoxypropan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-1-enoxypropan-1-ol is sourced from PubChem (CID 166065599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).