1-ethenylcyclododecan-1-ol

C14H26O — CID 543425

IUPAC1-ethenylcyclododecan-1-ol
SMILESC=CC1(O)CCCCCCCCCCC1
InChIInChI=1S/C14H26O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h2,15H,1,3-13H2
InChIKeyIKDAAKTZPNAEIT-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds1

About 1-ethenylcyclododecan-1-ol

1-ethenylcyclododecan-1-ol (PubChem CID 543425) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-ethenylcyclododecan-1-ol.

Molecular Properties

Compound Name1-ethenylcyclododecan-1-ol
PubChem CID543425
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-ethenylcyclododecan-1-ol
SMILESC=CC1(O)CCCCCCCCCCC1
InChIInChI=1S/C14H26O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h2,15H,1,3-13H2
InChIKeyIKDAAKTZPNAEIT-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylcyclododecan-1-ol?
The IUPAC name of 1-ethenylcyclododecan-1-ol (CID 543425) is 1-ethenylcyclododecan-1-ol.
What is the SMILES notation for 1-ethenylcyclododecan-1-ol?
The canonical SMILES for 1-ethenylcyclododecan-1-ol is C=CC1(O)CCCCCCCCCCC1.
What is the InChIKey of 1-ethenylcyclododecan-1-ol?
The InChIKey is IKDAAKTZPNAEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h2,15H,1,3-13H2.
What are the key properties of 1-ethenylcyclododecan-1-ol?
1-ethenylcyclododecan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcyclododecan-1-ol is sourced from PubChem (CID 543425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).