(4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane

C9H17N3O2 — CID 46868038

IUPAC(4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](CCCCN=[N+]=[N-])O1
InChIInChI=1S/C9H17N3O2/c1-9(2)13-7-8(14-9)5-3-4-6-11-12-10/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyAXONTEIFWLZIMB-MRVPVSSYSA-N
MW199.25 g/mol
LogP2.62
Rot. Bonds5

About (4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane

(4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 46868038) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID46868038
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](CCCCN=[N+]=[N-])O1
InChIInChI=1S/C9H17N3O2/c1-9(2)13-7-8(14-9)5-3-4-6-11-12-10/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyAXONTEIFWLZIMB-MRVPVSSYSA-N
XLogP2.62
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane
CID 15540488
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
CID 13151642
4-(azidomethyl)-2,2-dimethyl-1,3-dioxolane;3-azidopropane-1,2-diol
CID 159544963
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine
CID 53230731
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanenitrile
CID 14374516

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane (CID 46868038) is (4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@@H](CCCCN=[N+]=[N-])O1.
What is the InChIKey of (4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is AXONTEIFWLZIMB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2)13-7-8(14-9)5-3-4-6-11-12-10/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane?
(4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 199.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 46868038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).