nona-5,7-diyn-1-ol

C9H12O — CID 13293576

IUPACnona-5,7-diyn-1-ol
SMILESCC#CC#CCCCCO
InChIInChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h10H,6-9H2,1H3
InChIKeyBRMQEKNYOMTALV-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.18
Rot. Bonds3

About nona-5,7-diyn-1-ol

nona-5,7-diyn-1-ol (PubChem CID 13293576) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is nona-5,7-diyn-1-ol.

Molecular Properties

Compound Namenona-5,7-diyn-1-ol
PubChem CID13293576
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Namenona-5,7-diyn-1-ol
SMILESCC#CC#CCCCCO
InChIInChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h10H,6-9H2,1H3
InChIKeyBRMQEKNYOMTALV-UHFFFAOYSA-N
XLogP1.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.18
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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Related Compounds

deca-4,6,8-triyn-1-ol
CID 12000449
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CID 24975633
henicosa-2,4,6,8,10,12,14-heptayne
CID 176741061
icosa-15,18-diyn-1-ol
CID 160765539
undeca-3,5-diyn-1-ol
CID 15306342
undec-5-yn-1-ol
CID 13113234
undec-7-yn-1-ol
CID 10909966
dodeca-2,4,6,8,10-pentayn-1-ol
CID 153422692
tetradec-5-yn-1-ol
CID 15730841
heptadec-8-yn-1-ol
CID 10491053
non-6-yn-1-ol
CID 3017913
pentadeca-5,10-diyn-1-ol
CID 560933

Frequently Asked Questions

What is the IUPAC name of nona-5,7-diyn-1-ol?
The IUPAC name of nona-5,7-diyn-1-ol (CID 13293576) is nona-5,7-diyn-1-ol.
What is the SMILES notation for nona-5,7-diyn-1-ol?
The canonical SMILES for nona-5,7-diyn-1-ol is CC#CC#CCCCCO.
What is the InChIKey of nona-5,7-diyn-1-ol?
The InChIKey is BRMQEKNYOMTALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h10H,6-9H2,1H3.
What are the key properties of nona-5,7-diyn-1-ol?
nona-5,7-diyn-1-ol has a molecular weight of 136.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-5,7-diyn-1-ol is sourced from PubChem (CID 13293576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).