2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde

C14H22O3 — CID 75079306

IUPAC2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde
SMILESCC1(CCC2CCCCC2=CC=O)OCCO1
InChIInChI=1S/C14H22O3/c1-14(16-10-11-17-14)8-6-12-4-2-3-5-13(12)7-9-15/h7,9,12H,2-6,8,10-11H2,1H3
InChIKeyJCHFWLWJBJVIAP-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.85
Rot. Bonds4

About 2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde

2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde (PubChem CID 75079306) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde.

Molecular Properties

Compound Name2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde
PubChem CID75079306
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde
SMILESCC1(CCC2CCCCC2=CC=O)OCCO1
InChIInChI=1S/C14H22O3/c1-14(16-10-11-17-14)8-6-12-4-2-3-5-13(12)7-9-15/h7,9,12H,2-6,8,10-11H2,1H3
InChIKeyJCHFWLWJBJVIAP-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane
CID 14785781
trans-(2S,3S)-3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cycloheptan-1-one
CID 131844605
1-[(2E)-2-ethylidenecyclohexyl]propan-2-one
CID 15472619
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexanamine
CID 165438987
1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one
CID 23238515
N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine
CID 131153771
6-(2-methyl-1,3-dioxolan-2-yl)hexanal
CID 11052346
2-[2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropyl]cyclopent-2-en-1-one
CID 15414495
trimethyl-[4-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexen-1-yl]oxysilane
CID 74955942
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethylsulfamoyl]cyclopentanamine
CID 110611947
(1E,2S)-1-ethylidene-2-methylcyclohexane
CID 148695286
2-[(E)-4-cyclohexyl-3-nitrobut-3-enyl]-2-methyl-1,3-dioxolane
CID 10880132

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde?
The IUPAC name of 2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde (CID 75079306) is 2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde.
What is the SMILES notation for 2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde?
The canonical SMILES for 2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde is CC1(CCC2CCCCC2=CC=O)OCCO1.
What is the InChIKey of 2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde?
The InChIKey is JCHFWLWJBJVIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-14(16-10-11-17-14)8-6-12-4-2-3-5-13(12)7-9-15/h7,9,12H,2-6,8,10-11H2,1H3.
What are the key properties of 2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde?
2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde has a molecular weight of 238.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexylidene]acetaldehyde is sourced from PubChem (CID 75079306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).