(1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol

C18H35N3O2 — CID 11834352

IUPAC(1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol
SMILESCCCCCCCCCCCCn1nc([C@H](C)O)nc1[C@H](C)O
InChIInChI=1S/C18H35N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-21-18(16(3)23)19-17(20-21)15(2)22/h15-16,22-23H,4-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyYDYHBFXDRJMNMQ-HOTGVXAUSA-N
MW325.50 g/mol
LogP4.31
Rot. Bonds13

About (1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol

(1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol (PubChem CID 11834352) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is (1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol
PubChem CID11834352
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name(1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol
SMILESCCCCCCCCCCCCn1nc([C@H](C)O)nc1[C@H](C)O
InChIInChI=1S/C18H35N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-21-18(16(3)23)19-17(20-21)15(2)22/h15-16,22-23H,4-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyYDYHBFXDRJMNMQ-HOTGVXAUSA-N
XLogP4.31
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
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 (1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of (1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol (CID 11834352) is (1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for (1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol is CCCCCCCCCCCCn1nc([C@H](C)O)nc1[C@H](C)O.
What is the InChIKey of (1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol?
The InChIKey is YDYHBFXDRJMNMQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-21-18(16(3)23)19-17(20-21)15(2)22/h15-16,22-23H,4-14H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of (1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol?
(1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol has a molecular weight of 325.50 g/mol, XLogP of 4.31, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-dodecyl-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 11834352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).