2-iodo-6-methylhept-2-en-4-ol

C8H15IO — CID 71328427

IUPAC2-iodo-6-methylhept-2-en-4-ol
SMILESCC(I)=CC(O)CC(C)C
InChIInChI=1S/C8H15IO/c1-6(2)4-8(10)5-7(3)9/h5-6,8,10H,4H2,1-3H3
InChIKeySWXOENJHEJMCTA-UHFFFAOYSA-N
MW254.11 g/mol
LogP2.73
Rot. Bonds3

About 2-iodo-6-methylhept-2-en-4-ol

2-iodo-6-methylhept-2-en-4-ol (PubChem CID 71328427) has the molecular formula C8H15IO and a molecular weight of 254.11 g/mol. Its IUPAC name is 2-iodo-6-methylhept-2-en-4-ol.

Molecular Properties

Compound Name2-iodo-6-methylhept-2-en-4-ol
PubChem CID71328427
Molecular FormulaC8H15IO
Molecular Weight254.11 g/mol
Exact Mass254.02
IUPAC Name2-iodo-6-methylhept-2-en-4-ol
SMILESCC(I)=CC(O)CC(C)C
InChIInChI=1S/C8H15IO/c1-6(2)4-8(10)5-7(3)9/h5-6,8,10H,4H2,1-3H3
InChIKeySWXOENJHEJMCTA-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 52.73
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 2-iodo-6-methylhept-2-en-4-ol?
The IUPAC name of 2-iodo-6-methylhept-2-en-4-ol (CID 71328427) is 2-iodo-6-methylhept-2-en-4-ol.
What is the SMILES notation for 2-iodo-6-methylhept-2-en-4-ol?
The canonical SMILES for 2-iodo-6-methylhept-2-en-4-ol is CC(I)=CC(O)CC(C)C.
What is the InChIKey of 2-iodo-6-methylhept-2-en-4-ol?
The InChIKey is SWXOENJHEJMCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IO/c1-6(2)4-8(10)5-7(3)9/h5-6,8,10H,4H2,1-3H3.
What are the key properties of 2-iodo-6-methylhept-2-en-4-ol?
2-iodo-6-methylhept-2-en-4-ol has a molecular weight of 254.11 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methylhept-2-en-4-ol is sourced from PubChem (CID 71328427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).