(2S)-2-(chloromethyl)tridecane-1,2-diol

C14H29ClO2 — CID 11265568

IUPAC(2S)-2-(chloromethyl)tridecane-1,2-diol
SMILESCCCCCCCCCCC[C@](O)(CO)CCl
InChIInChI=1S/C14H29ClO2/c1-2-3-4-5-6-7-8-9-10-11-14(17,12-15)13-16/h16-17H,2-13H2,1H3/t14-/m1/s1
InChIKeySLIMDNRVEJXEKL-CQSZACIVSA-N
MW264.84 g/mol
LogP3.87
Rot. Bonds12

About (2S)-2-(chloromethyl)tridecane-1,2-diol

(2S)-2-(chloromethyl)tridecane-1,2-diol (PubChem CID 11265568) has the molecular formula C14H29ClO2 and a molecular weight of 264.84 g/mol. Its IUPAC name is (2S)-2-(chloromethyl)tridecane-1,2-diol.

Molecular Properties

Compound Name(2S)-2-(chloromethyl)tridecane-1,2-diol
PubChem CID11265568
Molecular FormulaC14H29ClO2
Molecular Weight264.84 g/mol
Exact Mass264.19
IUPAC Name(2S)-2-(chloromethyl)tridecane-1,2-diol
SMILESCCCCCCCCCCC[C@](O)(CO)CCl
InChIInChI=1S/C14H29ClO2/c1-2-3-4-5-6-7-8-9-10-11-14(17,12-15)13-16/h16-17H,2-13H2,1H3/t14-/m1/s1
InChIKeySLIMDNRVEJXEKL-CQSZACIVSA-N
XLogP3.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(chloromethyl)hexadecane-1,2-diol
CID 13226351
2-heptylhexane-1,2,6-triol
CID 22481106
2-butyltetradecane-1,2-diol
CID 88924076
2-propyloctane-1,2-diol
CID 88923937
2-ethyltridecane-1,2-diol
CID 88923996
4-decyltetradecane-1,4-diol
CID 170650453
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
11-decyldodecane-1,1,11,12-tetrol
CID 91079492
2-[[2-hydroxy-2-(hydroxymethyl)icosoxy]methyl]icosane-1,2-diol
CID 87690691
9-ethylheptadecan-9-ol
CID 86166082

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(chloromethyl)tridecane-1,2-diol?
The IUPAC name of (2S)-2-(chloromethyl)tridecane-1,2-diol (CID 11265568) is (2S)-2-(chloromethyl)tridecane-1,2-diol.
What is the SMILES notation for (2S)-2-(chloromethyl)tridecane-1,2-diol?
The canonical SMILES for (2S)-2-(chloromethyl)tridecane-1,2-diol is CCCCCCCCCCC[C@](O)(CO)CCl.
What is the InChIKey of (2S)-2-(chloromethyl)tridecane-1,2-diol?
The InChIKey is SLIMDNRVEJXEKL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H29ClO2/c1-2-3-4-5-6-7-8-9-10-11-14(17,12-15)13-16/h16-17H,2-13H2,1H3/t14-/m1/s1.
What are the key properties of (2S)-2-(chloromethyl)tridecane-1,2-diol?
(2S)-2-(chloromethyl)tridecane-1,2-diol has a molecular weight of 264.84 g/mol, XLogP of 3.87, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(chloromethyl)tridecane-1,2-diol is sourced from PubChem (CID 11265568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).