2-methyltrideca-3,5-diyn-2-ol

C14H22O — CID 101092007

IUPAC2-methyltrideca-3,5-diyn-2-ol
SMILESCCCCCCCC#CC#CC(C)(C)O
InChIInChI=1S/C14H22O/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h15H,4-9H2,1-3H3
InChIKeyRENRBPNFKZYIOQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.12
Rot. Bonds5

About 2-methyltrideca-3,5-diyn-2-ol

2-methyltrideca-3,5-diyn-2-ol (PubChem CID 101092007) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyltrideca-3,5-diyn-2-ol.

Molecular Properties

Compound Name2-methyltrideca-3,5-diyn-2-ol
PubChem CID101092007
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methyltrideca-3,5-diyn-2-ol
SMILESCCCCCCCC#CC#CC(C)(C)O
InChIInChI=1S/C14H22O/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h15H,4-9H2,1-3H3
InChIKeyRENRBPNFKZYIOQ-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.12
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

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tetraconta-15,17,19,21,23,25-hexayne
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dodeca-2,4-diyn-1-ol
CID 11816199
2-methyldec-3-yne-1,2-diol
CID 121216457
undeca-3,5-diyn-1-ol
CID 15306342
henicosa-2,4-diynoate
CID 102596615
hexadeca-2,4-diynoate
CID 102596611
henicosa-2,4,6,8,10,12,14-heptayne
CID 176741061
hept-1-yne;nonadeca-6,8-diyne
CID 91221383
hexadeca-9,11-diyn-1-ol
CID 24975633
henicos-8-yne
CID 22224321
6-methyltridec-7-yn-6-ol
CID 10353086

Frequently Asked Questions

What is the IUPAC name of 2-methyltrideca-3,5-diyn-2-ol?
The IUPAC name of 2-methyltrideca-3,5-diyn-2-ol (CID 101092007) is 2-methyltrideca-3,5-diyn-2-ol.
What is the SMILES notation for 2-methyltrideca-3,5-diyn-2-ol?
The canonical SMILES for 2-methyltrideca-3,5-diyn-2-ol is CCCCCCCC#CC#CC(C)(C)O.
What is the InChIKey of 2-methyltrideca-3,5-diyn-2-ol?
The InChIKey is RENRBPNFKZYIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h15H,4-9H2,1-3H3.
What are the key properties of 2-methyltrideca-3,5-diyn-2-ol?
2-methyltrideca-3,5-diyn-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltrideca-3,5-diyn-2-ol is sourced from PubChem (CID 101092007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).