5-ethenylidenedodec-6-yne-4,9-diol

C14H22O2 — CID 101452651

IUPAC5-ethenylidenedodec-6-yne-4,9-diol
SMILESC=C=C(C#CCC(O)CCC)C(O)CCC
InChIInChI=1S/C14H22O2/c1-4-8-13(15)11-7-10-12(6-3)14(16)9-5-2/h13-16H,3-5,8-9,11H2,1-2H3
InChIKeyMQEVIBQWOQDSKS-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.41
Rot. Bonds6

About 5-ethenylidenedodec-6-yne-4,9-diol

5-ethenylidenedodec-6-yne-4,9-diol (PubChem CID 101452651) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-ethenylidenedodec-6-yne-4,9-diol.

Molecular Properties

Compound Name5-ethenylidenedodec-6-yne-4,9-diol
PubChem CID101452651
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-ethenylidenedodec-6-yne-4,9-diol
SMILESC=C=C(C#CCC(O)CCC)C(O)CCC
InChIInChI=1S/C14H22O2/c1-4-8-13(15)11-7-10-12(6-3)14(16)9-5-2/h13-16H,3-5,8-9,11H2,1-2H3
InChIKeyMQEVIBQWOQDSKS-UHFFFAOYSA-N
XLogP2.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methylhept-1-en-6-yn-3-ol
CID 13095279
2-Methyloct-1-en-6-yn-3-ol
CID 12653929
3-Ethylocta-3,4-dien-2-ol
CID 86182344
8-Methyl-8-nonen-5-yn-4-ol
CID 129754529
(4R)-2-methylundec-1-en-5-yn-4-ol
CID 134866890
4-Butyl-6,7-dimethylocta-4,5-dien-2-yne-1,7-diol
CID 134897991
4-Ethylnona-4,5-dien-1-yn-3-ol
CID 134981936
6-Methyldeca-4,5-dien-3-ol
CID 134995136
(4S)-2-methylundec-1-en-6-yn-4-ol
CID 162412097
1-Octyn-3-ol, 4-ethenylidene-, (3S)-
CID 11446440
4-Heptanol, 3-methylene-
CID 11480454
(E)-2-ethylhex-1-ene-1,3-diol
CID 19795304

Frequently Asked Questions

What is the IUPAC name of 5-ethenylidenedodec-6-yne-4,9-diol?
The IUPAC name of 5-ethenylidenedodec-6-yne-4,9-diol (CID 101452651) is 5-ethenylidenedodec-6-yne-4,9-diol.
What is the SMILES notation for 5-ethenylidenedodec-6-yne-4,9-diol?
The canonical SMILES for 5-ethenylidenedodec-6-yne-4,9-diol is C=C=C(C#CCC(O)CCC)C(O)CCC.
What is the InChIKey of 5-ethenylidenedodec-6-yne-4,9-diol?
The InChIKey is MQEVIBQWOQDSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-8-13(15)11-7-10-12(6-3)14(16)9-5-2/h13-16H,3-5,8-9,11H2,1-2H3.
What are the key properties of 5-ethenylidenedodec-6-yne-4,9-diol?
5-ethenylidenedodec-6-yne-4,9-diol has a molecular weight of 222.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylidenedodec-6-yne-4,9-diol is sourced from PubChem (CID 101452651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).