2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol

C15H27N3O — CID 134964002

IUPAC2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol
SMILESCC(C)=CCC[C@@H](C)CCn1cc(C(C)(C)O)nn1
InChIInChI=1S/C15H27N3O/c1-12(2)7-6-8-13(3)9-10-18-11-14(16-17-18)15(4,5)19/h7,11,13,19H,6,8-10H2,1-5H3/t13-/m1/s1
InChIKeyDDEYUGQJZLXHCM-CYBMUJFWSA-N
MW265.40 g/mol
LogP3.28
Rot. Bonds7

About 2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol

2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol (PubChem CID 134964002) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol
PubChem CID134964002
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol
SMILESCC(C)=CCC[C@@H](C)CCn1cc(C(C)(C)O)nn1
InChIInChI=1S/C15H27N3O/c1-12(2)7-6-8-13(3)9-10-18-11-14(16-17-18)15(4,5)19/h7,11,13,19H,6,8-10H2,1-5H3/t13-/m1/s1
InChIKeyDDEYUGQJZLXHCM-CYBMUJFWSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol (CID 134964002) is 2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol is CC(C)=CCC[C@@H](C)CCn1cc(C(C)(C)O)nn1.
What is the InChIKey of 2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol?
The InChIKey is DDEYUGQJZLXHCM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)7-6-8-13(3)9-10-18-11-14(16-17-18)15(4,5)19/h7,11,13,19H,6,8-10H2,1-5H3/t13-/m1/s1.
What are the key properties of 2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol?
2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 134964002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).