2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane

C14H23NO4 — CID 10880132

IUPAC2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane
SMILESCC1(CC/C(=C\C2CCCCC2)[N+](=O)[O-])OCCO1
InChIInChI=1S/C14H23NO4/c1-14(18-9-10-19-14)8-7-13(15(16)17)11-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3/b13-11+
InChIKeyNHARVOJOHSJNPF-ACCUITESSA-N
MW269.34 g/mol
LogP3.27
Rot. Bonds5

About 2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane

2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane (PubChem CID 10880132) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane
PubChem CID10880132
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane
SMILESCC1(CC/C(=C\C2CCCCC2)[N+](=O)[O-])OCCO1
InChIInChI=1S/C14H23NO4/c1-14(18-9-10-19-14)8-7-13(15(16)17)11-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3/b13-11+
InChIKeyNHARVOJOHSJNPF-ACCUITESSA-N
XLogP3.27
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-2-nitropent-1-enyl)cyclopentane
CID 76948794
[(E)-2-nitrobut-1-enyl]cyclopropane
CID 62313805
(3-methyl-2-nitrobut-1-enyl)cycloheptane
CID 115347820
4-[(Z)-3-cyclohexyl-2-nitroprop-2-enyl]thiomorpholine
CID 102168301
3-(3-methyl-2-nitrobut-1-enyl)oxane
CID 115347625
2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane
CID 130120416
Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate
CID 13496983
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexanamine
CID 165438987
[(E)-3-iodo-2-methylprop-1-enyl]cyclohexane
CID 91620287
[(E)-3-bromo-2-methylprop-1-enyl]cyclohexane
CID 131275429
5-cyclopentyl-4-methylpent-4-enal
CID 78076892
3-cyclopentyl-2-methylprop-2-en-1-ol
CID 79334568

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane (CID 10880132) is 2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane is CC1(CC/C(=C\C2CCCCC2)[N+](=O)[O-])OCCO1.
What is the InChIKey of 2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane?
The InChIKey is NHARVOJOHSJNPF-ACCUITESSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(18-9-10-19-14)8-7-13(15(16)17)11-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3/b13-11+.
What are the key properties of 2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane?
2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane has a molecular weight of 269.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 10880132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).