(5R,9R)-5,9,13-trimethyltetradecanoyl chloride

C17H33ClO — CID 118035354

IUPAC(5R,9R)-5,9,13-trimethyltetradecanoyl chloride
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(=O)Cl
InChIInChI=1S/C17H33ClO/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h14-16H,5-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyLTPITHTZJOWCBE-HZPDHXFCSA-N
MW288.90 g/mol
LogP6.19
Rot. Bonds12

About (5R,9R)-5,9,13-trimethyltetradecanoyl chloride

(5R,9R)-5,9,13-trimethyltetradecanoyl chloride (PubChem CID 118035354) has the molecular formula C17H33ClO and a molecular weight of 288.90 g/mol. Its IUPAC name is (5R,9R)-5,9,13-trimethyltetradecanoyl chloride.

Molecular Properties

Compound Name(5R,9R)-5,9,13-trimethyltetradecanoyl chloride
PubChem CID118035354
Molecular FormulaC17H33ClO
Molecular Weight288.90 g/mol
Exact Mass288.22
IUPAC Name(5R,9R)-5,9,13-trimethyltetradecanoyl chloride
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(=O)Cl
InChIInChI=1S/C17H33ClO/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h14-16H,5-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyLTPITHTZJOWCBE-HZPDHXFCSA-N
XLogP6.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.90
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R,9R)-5,9,13-trimethyltetradecanoyl chloride 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

8-methylhexadecanedioyl dichloride
CID 139686539
5-chlorohexanoyl chloride
CID 71757929
8,12-dimethyltridecanoic acid
CID 101005175
11,15-dimethylhexadecanoic acid
CID 5282701
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
2,5,9,13-tetramethyltetradecane
CID 58292409
2,6-dimethylheptane;2,7-dimethyloctan-3-one
CID 161345057
indigane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174327196
germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174380036
(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
CID 175222711
CID 170924185
CID 170924185

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-5,9,13-trimethyltetradecanoyl chloride?
The IUPAC name of (5R,9R)-5,9,13-trimethyltetradecanoyl chloride (CID 118035354) is (5R,9R)-5,9,13-trimethyltetradecanoyl chloride.
What is the SMILES notation for (5R,9R)-5,9,13-trimethyltetradecanoyl chloride?
The canonical SMILES for (5R,9R)-5,9,13-trimethyltetradecanoyl chloride is CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(=O)Cl.
What is the InChIKey of (5R,9R)-5,9,13-trimethyltetradecanoyl chloride?
The InChIKey is LTPITHTZJOWCBE-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H33ClO/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h14-16H,5-13H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (5R,9R)-5,9,13-trimethyltetradecanoyl chloride?
(5R,9R)-5,9,13-trimethyltetradecanoyl chloride has a molecular weight of 288.90 g/mol, XLogP of 6.19, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-5,9,13-trimethyltetradecanoyl chloride is sourced from PubChem (CID 118035354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).