2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol

C14H20O2 — CID 19748546

IUPAC2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol
SMILESC=C(CC#CC(C)(C)O)CC#CC(C)(C)O
InChIInChI=1S/C14H20O2/c1-12(8-6-10-13(2,3)15)9-7-11-14(4,5)16/h15-16H,1,8-9H2,2-5H3
InChIKeySMKRFKLGUUMXRU-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.87
Rot. Bonds2

About 2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol

2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol (PubChem CID 19748546) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol.

Molecular Properties

Compound Name2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol
PubChem CID19748546
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol
SMILESC=C(CC#CC(C)(C)O)CC#CC(C)(C)O
InChIInChI=1S/C14H20O2/c1-12(8-6-10-13(2,3)15)9-7-11-14(4,5)16/h15-16H,1,8-9H2,2-5H3
InChIKeySMKRFKLGUUMXRU-UHFFFAOYSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol?
The IUPAC name of 2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol (CID 19748546) is 2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol.
What is the SMILES notation for 2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol?
The canonical SMILES for 2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol is C=C(CC#CC(C)(C)O)CC#CC(C)(C)O.
What is the InChIKey of 2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol?
The InChIKey is SMKRFKLGUUMXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-12(8-6-10-13(2,3)15)9-7-11-14(4,5)16/h15-16H,1,8-9H2,2-5H3.
What are the key properties of 2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol?
2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol has a molecular weight of 220.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol is sourced from PubChem (CID 19748546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).