2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde

C14H22O3 — CID 16732682

IUPAC2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde
SMILESC=C(C)[C@@H]1CC(C)=C[C@H](OCOC)[C@H]1CC=O
InChIInChI=1S/C14H22O3/c1-10(2)13-7-11(3)8-14(17-9-16-4)12(13)5-6-15/h6,8,12-14H,1,5,7,9H2,2-4H3/t12-,13-,14-/m0/s1
InChIKeyFHQCGXUCHWAZKL-IHRRRGAJSA-N
MW238.33 g/mol
LogP2.72
Rot. Bonds6

About 2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde

2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde (PubChem CID 16732682) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde
PubChem CID16732682
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde
SMILESC=C(C)[C@@H]1CC(C)=C[C@H](OCOC)[C@H]1CC=O
InChIInChI=1S/C14H22O3/c1-10(2)13-7-11(3)8-14(17-9-16-4)12(13)5-6-15/h6,8,12-14H,1,5,7,9H2,2-4H3/t12-,13-,14-/m0/s1
InChIKeyFHQCGXUCHWAZKL-IHRRRGAJSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde (CID 16732682) is 2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde is C=C(C)[C@@H]1CC(C)=C[C@H](OCOC)[C@H]1CC=O.
What is the InChIKey of 2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde?
The InChIKey is FHQCGXUCHWAZKL-IHRRRGAJSA-N. The full InChI is InChI=1S/C14H22O3/c1-10(2)13-7-11(3)8-14(17-9-16-4)12(13)5-6-15/h6,8,12-14H,1,5,7,9H2,2-4H3/t12-,13-,14-/m0/s1.
What are the key properties of 2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde?
2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde has a molecular weight of 238.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,6R)-2-(methoxymethoxy)-4-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]acetaldehyde is sourced from PubChem (CID 16732682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).