5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde

C10H16O2 — CID 175871966

IUPAC5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde
SMILESCOCC1(C)CCC=C(C=O)C1
InChIInChI=1S/C10H16O2/c1-10(8-12-2)5-3-4-9(6-10)7-11/h4,7H,3,5-6,8H2,1-2H3
InChIKeyBMFWXGJXRNTNGB-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds3

About 5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde

5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde (PubChem CID 175871966) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde
PubChem CID175871966
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde
SMILESCOCC1(C)CCC=C(C=O)C1
InChIInChI=1S/C10H16O2/c1-10(8-12-2)5-3-4-9(6-10)7-11/h4,7H,3,5-6,8H2,1-2H3
InChIKeyBMFWXGJXRNTNGB-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde?
The IUPAC name of 5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde (CID 175871966) is 5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde?
The canonical SMILES for 5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde is COCC1(C)CCC=C(C=O)C1.
What is the InChIKey of 5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde?
The InChIKey is BMFWXGJXRNTNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(8-12-2)5-3-4-9(6-10)7-11/h4,7H,3,5-6,8H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde?
5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-5-methylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 175871966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).