(4R)-1-iodopentadecan-4-ol

C15H31IO — CID 10021004

IUPAC(4R)-1-iodopentadecan-4-ol
SMILESCCCCCCCCCCC[C@@H](O)CCCI
InChIInChI=1S/C15H31IO/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16/h15,17H,2-14H2,1H3/t15-/m1/s1
InChIKeyLPHCTDJEVQMFOU-OAHLLOKOSA-N
MW354.32 g/mol
LogP5.48
Rot. Bonds13

About (4R)-1-iodopentadecan-4-ol

(4R)-1-iodopentadecan-4-ol (PubChem CID 10021004) has the molecular formula C15H31IO and a molecular weight of 354.32 g/mol. Its IUPAC name is (4R)-1-iodopentadecan-4-ol.

Molecular Properties

Compound Name(4R)-1-iodopentadecan-4-ol
PubChem CID10021004
Molecular FormulaC15H31IO
Molecular Weight354.32 g/mol
Exact Mass354.14
IUPAC Name(4R)-1-iodopentadecan-4-ol
SMILESCCCCCCCCCCC[C@@H](O)CCCI
InChIInChI=1S/C15H31IO/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16/h15,17H,2-14H2,1H3/t15-/m1/s1
InChIKeyLPHCTDJEVQMFOU-OAHLLOKOSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.32
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-iododecan-3-ol
CID 18651328
tetracosan-6-ol
CID 154265400
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
1-iododecan-2-ol
CID 10957011
tritetracontan-5-ol
CID 162898528
icosane-5,11-diol
CID 170722582

Frequently Asked Questions

What is the IUPAC name of (4R)-1-iodopentadecan-4-ol?
The IUPAC name of (4R)-1-iodopentadecan-4-ol (CID 10021004) is (4R)-1-iodopentadecan-4-ol.
What is the SMILES notation for (4R)-1-iodopentadecan-4-ol?
The canonical SMILES for (4R)-1-iodopentadecan-4-ol is CCCCCCCCCCC[C@@H](O)CCCI.
What is the InChIKey of (4R)-1-iodopentadecan-4-ol?
The InChIKey is LPHCTDJEVQMFOU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H31IO/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16/h15,17H,2-14H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-1-iodopentadecan-4-ol?
(4R)-1-iodopentadecan-4-ol has a molecular weight of 354.32 g/mol, XLogP of 5.48, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-iodopentadecan-4-ol is sourced from PubChem (CID 10021004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).