2-(hydroxymethyl)cyclododecane-1-carbaldehyde

C14H26O2 — CID 54076682

IUPAC2-(hydroxymethyl)cyclododecane-1-carbaldehyde
SMILESO=CC1CCCCCCCCCCC1CO
InChIInChI=1S/C14H26O2/c15-11-13-9-7-5-3-1-2-4-6-8-10-14(13)12-16/h11,13-14,16H,1-10,12H2
InChIKeyMKETWWGKGMPQKG-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.32
Rot. Bonds2

About 2-(hydroxymethyl)cyclododecane-1-carbaldehyde

2-(hydroxymethyl)cyclododecane-1-carbaldehyde (PubChem CID 54076682) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)cyclododecane-1-carbaldehyde.

Molecular Properties

Compound Name2-(hydroxymethyl)cyclododecane-1-carbaldehyde
PubChem CID54076682
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-(hydroxymethyl)cyclododecane-1-carbaldehyde
SMILESO=CC1CCCCCCCCCCC1CO
InChIInChI=1S/C14H26O2/c15-11-13-9-7-5-3-1-2-4-6-8-10-14(13)12-16/h11,13-14,16H,1-10,12H2
InChIKeyMKETWWGKGMPQKG-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)cyclododecane-1-carbaldehyde 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-(hydroxymethyl)cyclododecane-1-carbaldehyde?
The IUPAC name of 2-(hydroxymethyl)cyclododecane-1-carbaldehyde (CID 54076682) is 2-(hydroxymethyl)cyclododecane-1-carbaldehyde.
What is the SMILES notation for 2-(hydroxymethyl)cyclododecane-1-carbaldehyde?
The canonical SMILES for 2-(hydroxymethyl)cyclododecane-1-carbaldehyde is O=CC1CCCCCCCCCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)cyclododecane-1-carbaldehyde?
The InChIKey is MKETWWGKGMPQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c15-11-13-9-7-5-3-1-2-4-6-8-10-14(13)12-16/h11,13-14,16H,1-10,12H2.
What are the key properties of 2-(hydroxymethyl)cyclododecane-1-carbaldehyde?
2-(hydroxymethyl)cyclododecane-1-carbaldehyde has a molecular weight of 226.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)cyclododecane-1-carbaldehyde is sourced from PubChem (CID 54076682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).