6-iodo-2-methylheptan-1-ol

C8H17IO — CID 167560507

IUPAC6-iodo-2-methylheptan-1-ol
SMILESCC(I)CCCC(C)CO
InChIInChI=1S/C8H17IO/c1-7(6-10)4-3-5-8(2)9/h7-8,10H,3-6H2,1-2H3
InChIKeyBFFWNMDVKGGZDW-UHFFFAOYSA-N
MW256.13 g/mol
LogP2.61
Rot. Bonds5

About 6-iodo-2-methylheptan-1-ol

6-iodo-2-methylheptan-1-ol (PubChem CID 167560507) has the molecular formula C8H17IO and a molecular weight of 256.13 g/mol. Its IUPAC name is 6-iodo-2-methylheptan-1-ol.

Molecular Properties

Compound Name6-iodo-2-methylheptan-1-ol
PubChem CID167560507
Molecular FormulaC8H17IO
Molecular Weight256.13 g/mol
Exact Mass256.03
IUPAC Name6-iodo-2-methylheptan-1-ol
SMILESCC(I)CCCC(C)CO
InChIInChI=1S/C8H17IO/c1-7(6-10)4-3-5-8(2)9/h7-8,10H,3-6H2,1-2H3
InChIKeyBFFWNMDVKGGZDW-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
CID 172712223
CID 172712223
2,7-dimethyloctane-1,8-diol
CID 11008425
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
2-methylhexan-1-ol
CID 159157237
5-iodohexan-1-ol
CID 18921038
(5S)-5-iodohexan-1-ol
CID 139766894
(2R)-4-iodo-2-methylbutan-1-ol
CID 139766898
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
2,6-dimethyldodecan-1-ol
CID 14392571
6-methoxy-2-methylheptan-1-ol
CID 139725906

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-methylheptan-1-ol?
The IUPAC name of 6-iodo-2-methylheptan-1-ol (CID 167560507) is 6-iodo-2-methylheptan-1-ol.
What is the SMILES notation for 6-iodo-2-methylheptan-1-ol?
The canonical SMILES for 6-iodo-2-methylheptan-1-ol is CC(I)CCCC(C)CO.
What is the InChIKey of 6-iodo-2-methylheptan-1-ol?
The InChIKey is BFFWNMDVKGGZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IO/c1-7(6-10)4-3-5-8(2)9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 6-iodo-2-methylheptan-1-ol?
6-iodo-2-methylheptan-1-ol has a molecular weight of 256.13 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methylheptan-1-ol is sourced from PubChem (CID 167560507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).