octa-6,7-dien-2-yn-1-ol

C8H10O — CID 130122236

IUPACocta-6,7-dien-2-yn-1-ol
SMILESC=C=CCCC#CCO
InChIInChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h3,9H,1,4-5,8H2
InChIKeyCRHILTCJHGWFKY-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.10
Rot. Bonds2

About octa-6,7-dien-2-yn-1-ol

octa-6,7-dien-2-yn-1-ol (PubChem CID 130122236) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is octa-6,7-dien-2-yn-1-ol.

Molecular Properties

Compound Nameocta-6,7-dien-2-yn-1-ol
PubChem CID130122236
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Nameocta-6,7-dien-2-yn-1-ol
SMILESC=C=CCCC#CCO
InChIInChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h3,9H,1,4-5,8H2
InChIKeyCRHILTCJHGWFKY-UHFFFAOYSA-N
XLogP1.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of octa-6,7-dien-2-yn-1-ol?
The IUPAC name of octa-6,7-dien-2-yn-1-ol (CID 130122236) is octa-6,7-dien-2-yn-1-ol.
What is the SMILES notation for octa-6,7-dien-2-yn-1-ol?
The canonical SMILES for octa-6,7-dien-2-yn-1-ol is C=C=CCCC#CCO.
What is the InChIKey of octa-6,7-dien-2-yn-1-ol?
The InChIKey is CRHILTCJHGWFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h3,9H,1,4-5,8H2.
What are the key properties of octa-6,7-dien-2-yn-1-ol?
octa-6,7-dien-2-yn-1-ol has a molecular weight of 122.17 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-6,7-dien-2-yn-1-ol is sourced from PubChem (CID 130122236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).