azane;1,4-dichloro-4,5-dimethylundecan-2-ol

C13H29Cl2NO — CID 87699887

IUPACazane;1,4-dichloro-4,5-dimethylundecan-2-ol
SMILESCCCCCCC(C)C(C)(Cl)CC(O)CCl.N
InChIInChI=1S/C13H26Cl2O.H3N/c1-4-5-6-7-8-11(2)13(3,15)9-12(16)10-14;/h11-12,16H,4-10H2,1-3H3;1H3
InChIKeyHJEPDCHCVGHSRC-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.74
Rot. Bonds9

About azane;1,4-dichloro-4,5-dimethylundecan-2-ol

azane;1,4-dichloro-4,5-dimethylundecan-2-ol (PubChem CID 87699887) has the molecular formula C13H29Cl2NO and a molecular weight of 286.29 g/mol. Its IUPAC name is azane;1,4-dichloro-4,5-dimethylundecan-2-ol.

Molecular Properties

Compound Nameazane;1,4-dichloro-4,5-dimethylundecan-2-ol
PubChem CID87699887
Molecular FormulaC13H29Cl2NO
Molecular Weight286.29 g/mol
Exact Mass285.16
IUPAC Nameazane;1,4-dichloro-4,5-dimethylundecan-2-ol
SMILESCCCCCCC(C)C(C)(Cl)CC(O)CCl.N
InChIInChI=1S/C13H26Cl2O.H3N/c1-4-5-6-7-8-11(2)13(3,15)9-12(16)10-14;/h11-12,16H,4-10H2,1-3H3;1H3
InChIKeyHJEPDCHCVGHSRC-UHFFFAOYSA-N
XLogP4.74
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.74
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

4-chloro-4,5-dimethyltridecane
CID 152641357
1-chlorononadecan-2-ol
CID 54013510
(2R)-1-chlorooctan-2-ol
CID 12575177
2-chloro-2,3-dimethyltridecane
CID 87222996
2-chloro-2,3-dimethylnonane
CID 87897655
azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol
CID 87605296
azane;7-chloro-7-hexyl-8-methyltetradecane
CID 88840314
2,2,3-trimethylundecane
CID 21285055
4-(2-aminopropan-2-yl)-1-chloroicosan-2-ol;hydrobromide
CID 173086474
octadecane-8,11-diol
CID 101412726
2,2-dimethylundecan-4-ol
CID 59659891
2,2-dimethyltetradecan-4-ol
CID 59659889

Frequently Asked Questions

What is the IUPAC name of azane;1,4-dichloro-4,5-dimethylundecan-2-ol?
The IUPAC name of azane;1,4-dichloro-4,5-dimethylundecan-2-ol (CID 87699887) is azane;1,4-dichloro-4,5-dimethylundecan-2-ol.
What is the SMILES notation for azane;1,4-dichloro-4,5-dimethylundecan-2-ol?
The canonical SMILES for azane;1,4-dichloro-4,5-dimethylundecan-2-ol is CCCCCCC(C)C(C)(Cl)CC(O)CCl.N.
What is the InChIKey of azane;1,4-dichloro-4,5-dimethylundecan-2-ol?
The InChIKey is HJEPDCHCVGHSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26Cl2O.H3N/c1-4-5-6-7-8-11(2)13(3,15)9-12(16)10-14;/h11-12,16H,4-10H2,1-3H3;1H3.
What are the key properties of azane;1,4-dichloro-4,5-dimethylundecan-2-ol?
azane;1,4-dichloro-4,5-dimethylundecan-2-ol has a molecular weight of 286.29 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,4-dichloro-4,5-dimethylundecan-2-ol is sourced from PubChem (CID 87699887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).