(2E)-1-ethynylcyclododec-2-en-1-ol

C14H22O — CID 134887616

IUPAC(2E)-1-ethynylcyclododec-2-en-1-ol
SMILESC#CC1(O)/C=C/CCCCCCCCC1
InChIInChI=1S/C14H22O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h1,10,12,15H,3-9,11,13H2/b12-10+
InChIKeyIHTDFNOLQMCWQB-ZRDIBKRKSA-N
MW206.33 g/mol
LogP3.43
Rot. Bonds

About (2E)-1-ethynylcyclododec-2-en-1-ol

(2E)-1-ethynylcyclododec-2-en-1-ol (PubChem CID 134887616) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (2E)-1-ethynylcyclododec-2-en-1-ol.

Molecular Properties

Compound Name(2E)-1-ethynylcyclododec-2-en-1-ol
PubChem CID134887616
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(2E)-1-ethynylcyclododec-2-en-1-ol
SMILESC#CC1(O)/C=C/CCCCCCCCC1
InChIInChI=1S/C14H22O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h1,10,12,15H,3-9,11,13H2/b12-10+
InChIKeyIHTDFNOLQMCWQB-ZRDIBKRKSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethynylcyclopent-2-en-1-ol
CID 13184286
(1Z)-3,3-difluorocyclooctene
CID 129263045
1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol
CID 10921589
(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid
CID 118323024
cyclonon-2-ene-1,1-dicarboxylic acid
CID 154315592
(5E)-bicyclo[8.8.8]hexacos-5-ene-1,10-diol
CID 177483439
1-ethynylcyclohexan-1-ol;platinum(2+)
CID 23175181
(2Z)-1-fluorocyclooct-2-ene-1-thiol
CID 174305731
3-fluoro-3-methylcyclooctene
CID 154031859
cyclopentadecene
CID 5463009
cyclopentadeca-1,7-diene
CID 154173092
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080

Frequently Asked Questions

What is the IUPAC name of (2E)-1-ethynylcyclododec-2-en-1-ol?
The IUPAC name of (2E)-1-ethynylcyclododec-2-en-1-ol (CID 134887616) is (2E)-1-ethynylcyclododec-2-en-1-ol.
What is the SMILES notation for (2E)-1-ethynylcyclododec-2-en-1-ol?
The canonical SMILES for (2E)-1-ethynylcyclododec-2-en-1-ol is C#CC1(O)/C=C/CCCCCCCCC1.
What is the InChIKey of (2E)-1-ethynylcyclododec-2-en-1-ol?
The InChIKey is IHTDFNOLQMCWQB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H22O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h1,10,12,15H,3-9,11,13H2/b12-10+.
What are the key properties of (2E)-1-ethynylcyclododec-2-en-1-ol?
(2E)-1-ethynylcyclododec-2-en-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-ethynylcyclododec-2-en-1-ol is sourced from PubChem (CID 134887616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).