2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol

C10H17IO — CID 70957927

IUPAC2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol
SMILESCC1(C)C=C(I)C(O)C(C)(C)C1
InChIInChI=1S/C10H17IO/c1-9(2)5-7(11)8(12)10(3,4)6-9/h5,8,12H,6H2,1-4H3
InChIKeyAJQRRWFWHABPRP-UHFFFAOYSA-N
MW280.15 g/mol
LogP3.12
Rot. Bonds

About 2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol

2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol (PubChem CID 70957927) has the molecular formula C10H17IO and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol
PubChem CID70957927
Molecular FormulaC10H17IO
Molecular Weight280.15 g/mol
Exact Mass280.03
IUPAC Name2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol
SMILESCC1(C)C=C(I)C(O)C(C)(C)C1
InChIInChI=1S/C10H17IO/c1-9(2)5-7(11)8(12)10(3,4)6-9/h5,8,12H,6H2,1-4H3
InChIKeyAJQRRWFWHABPRP-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 53.12
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-4,4,6,6-tetramethylcyclohex-2-en-1-ol?
The IUPAC name of 2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol (CID 70957927) is 2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol.
What is the SMILES notation for 2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol?
The canonical SMILES for 2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol is CC1(C)C=C(I)C(O)C(C)(C)C1.
What is the InChIKey of 2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol?
The InChIKey is AJQRRWFWHABPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO/c1-9(2)5-7(11)8(12)10(3,4)6-9/h5,8,12H,6H2,1-4H3.
What are the key properties of 2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol?
2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol has a molecular weight of 280.15 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,4,6,6-tetramethylcyclohex-2-en-1-ol is sourced from PubChem (CID 70957927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).