prop-1-ynylcyclododecane

C15H26 — CID 141054951

IUPACprop-1-ynylcyclododecane
SMILESCC#CC1CCCCCCCCCCC1
InChIInChI=1S/C15H26/c1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-15/h15H,3-11,13-14H2,1H3
InChIKeyULDYMPIROXXTGV-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.93
Rot. Bonds

About prop-1-ynylcyclododecane

prop-1-ynylcyclododecane (PubChem CID 141054951) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is prop-1-ynylcyclododecane.

Molecular Properties

Compound Nameprop-1-ynylcyclododecane
PubChem CID141054951
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Nameprop-1-ynylcyclododecane
SMILESCC#CC1CCCCCCCCCCC1
InChIInChI=1S/C15H26/c1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-15/h15H,3-11,13-14H2,1H3
InChIKeyULDYMPIROXXTGV-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-prop-1-ynylcyclododecan-1-ol
CID 141054947
lithium 2-cyclohexylethynolate
CID 23667969
but-3-en-1-ynylcyclohexane
CID 10931474
prop-1-ynylcyclopentane
CID 20764675
3,3,3-trifluoroprop-1-ynylcyclohexane
CID 91536674
tricyclohexyl(2-cyclopentylethynyl)boranuide
CID 135048863
3-propylhex-1-ynylcyclohexane
CID 174832494
(4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane
CID 58408810
cyclohexanecarbonitrile;fluoromethane
CID 143506107
cyclooctanecarbonitrile
CID 13075060
cyclohexylmethylidyneborane
CID 159011895
1-methyl-4-(4-prop-1-ynylcyclohexyl)piperazine
CID 155218445

Frequently Asked Questions

What is the IUPAC name of prop-1-ynylcyclododecane?
The IUPAC name of prop-1-ynylcyclododecane (CID 141054951) is prop-1-ynylcyclododecane.
What is the SMILES notation for prop-1-ynylcyclododecane?
The canonical SMILES for prop-1-ynylcyclododecane is CC#CC1CCCCCCCCCCC1.
What is the InChIKey of prop-1-ynylcyclododecane?
The InChIKey is ULDYMPIROXXTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-15/h15H,3-11,13-14H2,1H3.
What are the key properties of prop-1-ynylcyclododecane?
prop-1-ynylcyclododecane has a molecular weight of 206.37 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ynylcyclododecane is sourced from PubChem (CID 141054951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).