6-butylideneundeca-4,7-diyne-1,11-diol

C15H22O2 — CID 134987425

IUPAC6-butylideneundeca-4,7-diyne-1,11-diol
SMILESCCCC=C(C#CCCCO)C#CCCCO
InChIInChI=1S/C15H22O2/c1-2-3-10-15(11-6-4-8-13-16)12-7-5-9-14-17/h10,16-17H,2-5,8-9,13-14H2,1H3
InChIKeyUEWIQASGZBPFGD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.26
Rot. Bonds6

About 6-butylideneundeca-4,7-diyne-1,11-diol

6-butylideneundeca-4,7-diyne-1,11-diol (PubChem CID 134987425) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-butylideneundeca-4,7-diyne-1,11-diol.

Molecular Properties

Compound Name6-butylideneundeca-4,7-diyne-1,11-diol
PubChem CID134987425
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name6-butylideneundeca-4,7-diyne-1,11-diol
SMILESCCCC=C(C#CCCCO)C#CCCCO
InChIInChI=1S/C15H22O2/c1-2-3-10-15(11-6-4-8-13-16)12-7-5-9-14-17/h10,16-17H,2-5,8-9,13-14H2,1H3
InChIKeyUEWIQASGZBPFGD-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(Z)-tetradec-6-en-4,8-diyn-1-ol
CID 100971906
undec-5-yn-1-ol
CID 13113234
undec-7-yn-1-ol
CID 10909966
(E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne
CID 101157076
heptadec-8-yn-1-ol
CID 10491053
tetradec-5-yn-1-ol
CID 15730841
pentadeca-5,10-diyn-1-ol
CID 560933
(E)-tridec-4-en-7-yn-1-ol
CID 6437422
hexadeca-9,11-diyn-1-ol
CID 24975633
(E)-tridec-4-en-6-yn-1-ol
CID 15420486
(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol
CID 5315864
gold;pentan-1-ol
CID 152701196

Frequently Asked Questions

What is the IUPAC name of 6-butylideneundeca-4,7-diyne-1,11-diol?
The IUPAC name of 6-butylideneundeca-4,7-diyne-1,11-diol (CID 134987425) is 6-butylideneundeca-4,7-diyne-1,11-diol.
What is the SMILES notation for 6-butylideneundeca-4,7-diyne-1,11-diol?
The canonical SMILES for 6-butylideneundeca-4,7-diyne-1,11-diol is CCCC=C(C#CCCCO)C#CCCCO.
What is the InChIKey of 6-butylideneundeca-4,7-diyne-1,11-diol?
The InChIKey is UEWIQASGZBPFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-3-10-15(11-6-4-8-13-16)12-7-5-9-14-17/h10,16-17H,2-5,8-9,13-14H2,1H3.
What are the key properties of 6-butylideneundeca-4,7-diyne-1,11-diol?
6-butylideneundeca-4,7-diyne-1,11-diol has a molecular weight of 234.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylideneundeca-4,7-diyne-1,11-diol is sourced from PubChem (CID 134987425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).