(E)-1-iodo-2-methylhex-1-en-3-ol

C7H13IO — CID 134979173

IUPAC(E)-1-iodo-2-methylhex-1-en-3-ol
SMILESCCCC(O)/C(C)=C/I
InChIInChI=1S/C7H13IO/c1-3-4-7(9)6(2)5-8/h5,7,9H,3-4H2,1-2H3/b6-5+
InChIKeyWOUAONRKUZYILB-AATRIKPKSA-N
MW240.08 g/mol
LogP2.49
Rot. Bonds3

About (E)-1-iodo-2-methylhex-1-en-3-ol

(E)-1-iodo-2-methylhex-1-en-3-ol (PubChem CID 134979173) has the molecular formula C7H13IO and a molecular weight of 240.08 g/mol. Its IUPAC name is (E)-1-iodo-2-methylhex-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-iodo-2-methylhex-1-en-3-ol
PubChem CID134979173
Molecular FormulaC7H13IO
Molecular Weight240.08 g/mol
Exact Mass240.00
IUPAC Name(E)-1-iodo-2-methylhex-1-en-3-ol
SMILESCCCC(O)/C(C)=C/I
InChIInChI=1S/C7H13IO/c1-3-4-7(9)6(2)5-8/h5,7,9H,3-4H2,1-2H3/b6-5+
InChIKeyWOUAONRKUZYILB-AATRIKPKSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 52.49
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-iodo-2-methylhex-1-en-3-ol?
The IUPAC name of (E)-1-iodo-2-methylhex-1-en-3-ol (CID 134979173) is (E)-1-iodo-2-methylhex-1-en-3-ol.
What is the SMILES notation for (E)-1-iodo-2-methylhex-1-en-3-ol?
The canonical SMILES for (E)-1-iodo-2-methylhex-1-en-3-ol is CCCC(O)/C(C)=C/I.
What is the InChIKey of (E)-1-iodo-2-methylhex-1-en-3-ol?
The InChIKey is WOUAONRKUZYILB-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13IO/c1-3-4-7(9)6(2)5-8/h5,7,9H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-1-iodo-2-methylhex-1-en-3-ol?
(E)-1-iodo-2-methylhex-1-en-3-ol has a molecular weight of 240.08 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodo-2-methylhex-1-en-3-ol is sourced from PubChem (CID 134979173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).