(E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol

C11H19IO — CID 20565049

IUPAC(E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
SMILESCCCCC1(C(O)/C=C/I)CCC1
InChIInChI=1S/C11H19IO/c1-2-3-6-11(7-4-8-11)10(13)5-9-12/h5,9-10,13H,2-4,6-8H2,1H3/b9-5+
InChIKeySHXRFNWBYMEEPB-WEVVVXLNSA-N
MW294.18 g/mol
LogP3.66
Rot. Bonds5

About (E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol

(E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol (PubChem CID 20565049) has the molecular formula C11H19IO and a molecular weight of 294.18 g/mol. Its IUPAC name is (E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
PubChem CID20565049
Molecular FormulaC11H19IO
Molecular Weight294.18 g/mol
Exact Mass294.05
IUPAC Name(E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
SMILESCCCCC1(C(O)/C=C/I)CCC1
InChIInChI=1S/C11H19IO/c1-2-3-6-11(7-4-8-11)10(13)5-9-12/h5,9-10,13H,2-4,6-8H2,1H3/b9-5+
InChIKeySHXRFNWBYMEEPB-WEVVVXLNSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol?
The IUPAC name of (E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol (CID 20565049) is (E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol.
What is the SMILES notation for (E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol?
The canonical SMILES for (E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol is CCCCC1(C(O)/C=C/I)CCC1.
What is the InChIKey of (E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol?
The InChIKey is SHXRFNWBYMEEPB-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H19IO/c1-2-3-6-11(7-4-8-11)10(13)5-9-12/h5,9-10,13H,2-4,6-8H2,1H3/b9-5+.
What are the key properties of (E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol?
(E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol has a molecular weight of 294.18 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol is sourced from PubChem (CID 20565049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).