4-prop-1-ynylcyclododecan-1-ol

C15H26O — CID 141054947

IUPAC4-prop-1-ynylcyclododecan-1-ol
SMILESCC#CC1CCCCCCCCC(O)CC1
InChIInChI=1S/C15H26O/c1-2-9-14-10-7-5-3-4-6-8-11-15(16)13-12-14/h14-16H,3-8,10-13H2,1H3
InChIKeySZMSWTMVULYCBX-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.90
Rot. Bonds

About 4-prop-1-ynylcyclododecan-1-ol

4-prop-1-ynylcyclododecan-1-ol (PubChem CID 141054947) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4-prop-1-ynylcyclododecan-1-ol.

Molecular Properties

Compound Name4-prop-1-ynylcyclododecan-1-ol
PubChem CID141054947
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4-prop-1-ynylcyclododecan-1-ol
SMILESCC#CC1CCCCCCCCC(O)CC1
InChIInChI=1S/C15H26O/c1-2-9-14-10-7-5-3-4-6-8-11-15(16)13-12-14/h14-16H,3-8,10-13H2,1H3
InChIKeySZMSWTMVULYCBX-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.90
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 4-prop-1-ynylcyclododecan-1-ol?
The IUPAC name of 4-prop-1-ynylcyclododecan-1-ol (CID 141054947) is 4-prop-1-ynylcyclododecan-1-ol.
What is the SMILES notation for 4-prop-1-ynylcyclododecan-1-ol?
The canonical SMILES for 4-prop-1-ynylcyclododecan-1-ol is CC#CC1CCCCCCCCC(O)CC1.
What is the InChIKey of 4-prop-1-ynylcyclododecan-1-ol?
The InChIKey is SZMSWTMVULYCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-9-14-10-7-5-3-4-6-8-11-15(16)13-12-14/h14-16H,3-8,10-13H2,1H3.
What are the key properties of 4-prop-1-ynylcyclododecan-1-ol?
4-prop-1-ynylcyclododecan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-ynylcyclododecan-1-ol is sourced from PubChem (CID 141054947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).