1-ethynylcyclododecan-1-ol

C14H24O — CID 2828296

IUPAC1-ethynylcyclododecan-1-ol
SMILESC#CC1(O)CCCCCCCCCCC1
InChIInChI=1S/C14H24O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h1,15H,3-13H2
InChIKeyDCHDUZYXRMNPCU-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.66
Rot. Bonds

About 1-ethynylcyclododecan-1-ol

1-ethynylcyclododecan-1-ol (PubChem CID 2828296) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-ethynylcyclododecan-1-ol.

Molecular Properties

Compound Name1-ethynylcyclododecan-1-ol
PubChem CID2828296
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-ethynylcyclododecan-1-ol
SMILESC#CC1(O)CCCCCCCCCCC1
InChIInChI=1S/C14H24O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h1,15H,3-13H2
InChIKeyDCHDUZYXRMNPCU-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethynylcyclododecan-1-ol?
The IUPAC name of 1-ethynylcyclododecan-1-ol (CID 2828296) is 1-ethynylcyclododecan-1-ol.
What is the SMILES notation for 1-ethynylcyclododecan-1-ol?
The canonical SMILES for 1-ethynylcyclododecan-1-ol is C#CC1(O)CCCCCCCCCCC1.
What is the InChIKey of 1-ethynylcyclododecan-1-ol?
The InChIKey is DCHDUZYXRMNPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h1,15H,3-13H2.
What are the key properties of 1-ethynylcyclododecan-1-ol?
1-ethynylcyclododecan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynylcyclododecan-1-ol is sourced from PubChem (CID 2828296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).