1-prop-2-ynylcyclododecan-1-ol

C15H26O — CID 134093446

IUPAC1-prop-2-ynylcyclododecan-1-ol
SMILESC#CCC1(O)CCCCCCCCCCC1
InChIInChI=1S/C15H26O/c1-2-12-15(16)13-10-8-6-4-3-5-7-9-11-14-15/h1,16H,3-14H2
InChIKeyHOBRMZILOWPAFN-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.05
Rot. Bonds1

About 1-prop-2-ynylcyclododecan-1-ol

1-prop-2-ynylcyclododecan-1-ol (PubChem CID 134093446) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-prop-2-ynylcyclododecan-1-ol.

Molecular Properties

Compound Name1-prop-2-ynylcyclododecan-1-ol
PubChem CID134093446
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-prop-2-ynylcyclododecan-1-ol
SMILESC#CCC1(O)CCCCCCCCCCC1
InChIInChI=1S/C15H26O/c1-2-12-15(16)13-10-8-6-4-3-5-7-9-11-14-15/h1,16H,3-14H2
InChIKeyHOBRMZILOWPAFN-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylcyclododecan-1-ol?
The IUPAC name of 1-prop-2-ynylcyclododecan-1-ol (CID 134093446) is 1-prop-2-ynylcyclododecan-1-ol.
What is the SMILES notation for 1-prop-2-ynylcyclododecan-1-ol?
The canonical SMILES for 1-prop-2-ynylcyclododecan-1-ol is C#CCC1(O)CCCCCCCCCCC1.
What is the InChIKey of 1-prop-2-ynylcyclododecan-1-ol?
The InChIKey is HOBRMZILOWPAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-12-15(16)13-10-8-6-4-3-5-7-9-11-14-15/h1,16H,3-14H2.
What are the key properties of 1-prop-2-ynylcyclododecan-1-ol?
1-prop-2-ynylcyclododecan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylcyclododecan-1-ol is sourced from PubChem (CID 134093446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).