2-methylidenecyclododecan-1-one

C13H22O — CID 534631

IUPAC2-methylidenecyclododecan-1-one
SMILESC=C1CCCCCCCCCCC1=O
InChIInChI=1S/C13H22O/c1-12-10-8-6-4-2-3-5-7-9-11-13(12)14/h1-11H2
InChIKeyYXRHKQPDROMYDX-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.03
Rot. Bonds

About 2-methylidenecyclododecan-1-one

2-methylidenecyclododecan-1-one (PubChem CID 534631) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methylidenecyclododecan-1-one.

Molecular Properties

Compound Name2-methylidenecyclododecan-1-one
PubChem CID534631
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-methylidenecyclododecan-1-one
SMILESC=C1CCCCCCCCCCC1=O
InChIInChI=1S/C13H22O/c1-12-10-8-6-4-2-3-5-7-9-11-13(12)14/h1-11H2
InChIKeyYXRHKQPDROMYDX-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Pentyl-1-buten-3-one
CID 62218
Non-1-en-3-one
CID 181106
1-Decen-3-one
CID 171530
1-Undecen-3-one
CID 162529
2-Nonanone, 3-methylene-
CID 3017847
Cyclopentadecanone, 3-methylene-
CID 14609951
1,13-Tetradecadien-3-one
CID 337818
1-Tetradecen-3-one
CID 10013364
1-Dodecen-3-one
CID 12804418
2-Methylenecycloheptanone
CID 543153
2-Methylidenecyclooctan-1-one
CID 12627953
2-Methylhept-1-en-3-one
CID 12585813

Frequently Asked Questions

What is the IUPAC name of 2-methylidenecyclododecan-1-one?
The IUPAC name of 2-methylidenecyclododecan-1-one (CID 534631) is 2-methylidenecyclododecan-1-one.
What is the SMILES notation for 2-methylidenecyclododecan-1-one?
The canonical SMILES for 2-methylidenecyclododecan-1-one is C=C1CCCCCCCCCCC1=O.
What is the InChIKey of 2-methylidenecyclododecan-1-one?
The InChIKey is YXRHKQPDROMYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-12-10-8-6-4-2-3-5-7-9-11-13(12)14/h1-11H2.
What are the key properties of 2-methylidenecyclododecan-1-one?
2-methylidenecyclododecan-1-one has a molecular weight of 194.32 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenecyclododecan-1-one is sourced from PubChem (CID 534631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).