[(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol

C15H27NO — CID 23243116

IUPAC[(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol
SMILESCC(C)=CCC/C(C)=C/CC[C@@]1(C)N[C@@H]1CO
InChIInChI=1S/C15H27NO/c1-12(2)7-5-8-13(3)9-6-10-15(4)14(11-17)16-15/h7,9,14,16-17H,5-6,8,10-11H2,1-4H3/b13-9+/t14-,15-/m1/s1
InChIKeyVKZWAKLSMCEIKO-IVBVFNMWSA-N
MW237.39 g/mol
LogP3.18
Rot. Bonds7

About [(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol

[(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol (PubChem CID 23243116) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is [(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol
PubChem CID23243116
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name[(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol
SMILESCC(C)=CCC/C(C)=C/CC[C@@]1(C)N[C@@H]1CO
InChIInChI=1S/C15H27NO/c1-12(2)7-5-8-13(3)9-6-10-15(4)14(11-17)16-15/h7,9,14,16-17H,5-6,8,10-11H2,1-4H3/b13-9+/t14-,15-/m1/s1
InChIKeyVKZWAKLSMCEIKO-IVBVFNMWSA-N
XLogP3.18
TPSA42.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
2-methyl-2-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-1,3-dioxolane
CID 77156345
2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole
CID 141403807
(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-ethenyl-2-methyloxirane
CID 42600655
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
2-methyl-2-(4-methylpent-3-enyl)-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]oxirane
CID 14018531
2,5,5-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-1,3-dioxane
CID 123618737

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol (CID 23243116) is [(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol is CC(C)=CCC/C(C)=C/CC[C@@]1(C)N[C@@H]1CO.
What is the InChIKey of [(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol?
The InChIKey is VKZWAKLSMCEIKO-IVBVFNMWSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)7-5-8-13(3)9-6-10-15(4)14(11-17)16-15/h7,9,14,16-17H,5-6,8,10-11H2,1-4H3/b13-9+/t14-,15-/m1/s1.
What are the key properties of [(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol?
[(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol has a molecular weight of 237.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol is sourced from PubChem (CID 23243116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).