2-(iodomethyl)-2-propylhexan-1-ol

C10H21IO — CID 154188986

IUPAC2-(iodomethyl)-2-propylhexan-1-ol
SMILESCCCCC(CO)(CI)CCC
InChIInChI=1S/C10H21IO/c1-3-5-7-10(8-11,9-12)6-4-2/h12H,3-9H2,1-2H3
InChIKeyKKYPESCKAXSILM-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.39
Rot. Bonds7

About 2-(iodomethyl)-2-propylhexan-1-ol

2-(iodomethyl)-2-propylhexan-1-ol (PubChem CID 154188986) has the molecular formula C10H21IO and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-(iodomethyl)-2-propylhexan-1-ol.

Molecular Properties

Compound Name2-(iodomethyl)-2-propylhexan-1-ol
PubChem CID154188986
Molecular FormulaC10H21IO
Molecular Weight284.18 g/mol
Exact Mass284.06
IUPAC Name2-(iodomethyl)-2-propylhexan-1-ol
SMILESCCCCC(CO)(CI)CCC
InChIInChI=1S/C10H21IO/c1-3-5-7-10(8-11,9-12)6-4-2/h12H,3-9H2,1-2H3
InChIKeyKKYPESCKAXSILM-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.39
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'}

Analyze 2-(iodomethyl)-2-propylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
2-pentyl-2-propylpropane-1,3-diol
CID 18188395
2-butyl-2-propylheptane-1,7-diol
CID 151269549
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2-(aminomethyl)-2-butylpropane-1,3-diol
CID 139977749
2,2-dioctyldecan-1-ol
CID 87374856
2,2-di(undecyl)tridecan-1-ol
CID 176610401
2-ethyl-2-(iodomethyl)propane-1,3-diol
CID 118585787
2,6-didodecyl-2,6-bis(hydroxymethyl)heptane-1,7-diol
CID 142452979
2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-2-propylhexan-1-ol?
The IUPAC name of 2-(iodomethyl)-2-propylhexan-1-ol (CID 154188986) is 2-(iodomethyl)-2-propylhexan-1-ol.
What is the SMILES notation for 2-(iodomethyl)-2-propylhexan-1-ol?
The canonical SMILES for 2-(iodomethyl)-2-propylhexan-1-ol is CCCCC(CO)(CI)CCC.
What is the InChIKey of 2-(iodomethyl)-2-propylhexan-1-ol?
The InChIKey is KKYPESCKAXSILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21IO/c1-3-5-7-10(8-11,9-12)6-4-2/h12H,3-9H2,1-2H3.
What are the key properties of 2-(iodomethyl)-2-propylhexan-1-ol?
2-(iodomethyl)-2-propylhexan-1-ol has a molecular weight of 284.18 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-2-propylhexan-1-ol is sourced from PubChem (CID 154188986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).