dodeca-1,3-diynylcyclohexane

C18H28 — CID 11288031

IUPACdodeca-1,3-diynylcyclohexane
SMILESCCCCCCCCC#CC#CC1CCCCC1
InChIInChI=1S/C18H28/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-8,11,13-14,16-17H2,1H3
InChIKeyDRDAJNMHCFYLPY-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.32
Rot. Bonds6

About dodeca-1,3-diynylcyclohexane

dodeca-1,3-diynylcyclohexane (PubChem CID 11288031) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is dodeca-1,3-diynylcyclohexane.

Molecular Properties

Compound Namedodeca-1,3-diynylcyclohexane
PubChem CID11288031
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Namedodeca-1,3-diynylcyclohexane
SMILESCCCCCCCCC#CC#CC1CCCCC1
InChIInChI=1S/C18H28/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-8,11,13-14,16-17H2,1H3
InChIKeyDRDAJNMHCFYLPY-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Prop-2-yn-1-yl)cyclohexane
CID 87265
(But-3-yn-1-yl)cyclohexane
CID 15172911
1-Cyclohexyl-1-propyne
CID 140417
(But-3-yn-2-yl)cyclohexane
CID 54488815
1,1'-Buta-1,3-diyne-1,4-diyldicyclohexane
CID 287358
1-Cyclohexyl-1-pentyne
CID 548956
1-Cyclohexyl-1-butyne
CID 11320961
Oct-1-ynylcyclohexane
CID 11127116
1-Hexynylcyclohexane
CID 13680397
3,3-Dimethylbut-1-ynylcyclohexane
CID 15564841
1-Cyclohexyloct-3-yne
CID 19817989
5-Cyclohexyl-2-methyl-pentin-3
CID 20823880

Frequently Asked Questions

What is the IUPAC name of dodeca-1,3-diynylcyclohexane?
The IUPAC name of dodeca-1,3-diynylcyclohexane (CID 11288031) is dodeca-1,3-diynylcyclohexane.
What is the SMILES notation for dodeca-1,3-diynylcyclohexane?
The canonical SMILES for dodeca-1,3-diynylcyclohexane is CCCCCCCCC#CC#CC1CCCCC1.
What is the InChIKey of dodeca-1,3-diynylcyclohexane?
The InChIKey is DRDAJNMHCFYLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-8,11,13-14,16-17H2,1H3.
What are the key properties of dodeca-1,3-diynylcyclohexane?
dodeca-1,3-diynylcyclohexane has a molecular weight of 244.42 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-1,3-diynylcyclohexane is sourced from PubChem (CID 11288031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).