(3S)-3-(6-chloropurin-9-yl)decan-1-ol

C15H23ClN4O — CID 164621311

IUPAC(3S)-3-(6-chloropurin-9-yl)decan-1-ol
SMILESCCCCCCC[C@@H](CCO)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C15H23ClN4O/c1-2-3-4-5-6-7-12(8-9-21)20-11-19-13-14(16)17-10-18-15(13)20/h10-12,21H,2-9H2,1H3/t12-/m0/s1
InChIKeyIYVRKTITLDICQX-LBPRGKRZSA-N
MW310.83 g/mol
LogP3.76
Rot. Bonds9

About (3S)-3-(6-chloropurin-9-yl)decan-1-ol

(3S)-3-(6-chloropurin-9-yl)decan-1-ol (PubChem CID 164621311) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is (3S)-3-(6-chloropurin-9-yl)decan-1-ol.

Molecular Properties

Compound Name(3S)-3-(6-chloropurin-9-yl)decan-1-ol
PubChem CID164621311
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name(3S)-3-(6-chloropurin-9-yl)decan-1-ol
SMILESCCCCCCC[C@@H](CCO)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C15H23ClN4O/c1-2-3-4-5-6-7-12(8-9-21)20-11-19-13-14(16)17-10-18-15(13)20/h10-12,21H,2-9H2,1H3/t12-/m0/s1
InChIKeyIYVRKTITLDICQX-LBPRGKRZSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(6-chloropurin-9-yl)decan-1-ol?
The IUPAC name of (3S)-3-(6-chloropurin-9-yl)decan-1-ol (CID 164621311) is (3S)-3-(6-chloropurin-9-yl)decan-1-ol.
What is the SMILES notation for (3S)-3-(6-chloropurin-9-yl)decan-1-ol?
The canonical SMILES for (3S)-3-(6-chloropurin-9-yl)decan-1-ol is CCCCCCC[C@@H](CCO)n1cnc2c(Cl)ncnc21.
What is the InChIKey of (3S)-3-(6-chloropurin-9-yl)decan-1-ol?
The InChIKey is IYVRKTITLDICQX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-2-3-4-5-6-7-12(8-9-21)20-11-19-13-14(16)17-10-18-15(13)20/h10-12,21H,2-9H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-(6-chloropurin-9-yl)decan-1-ol?
(3S)-3-(6-chloropurin-9-yl)decan-1-ol has a molecular weight of 310.83 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(6-chloropurin-9-yl)decan-1-ol is sourced from PubChem (CID 164621311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).