8-tert-butylpentadeca-6,9-diyn-8-ol

C19H32O — CID 71370532

IUPAC8-tert-butylpentadeca-6,9-diyn-8-ol
SMILESCCCCCC#CC(O)(C#CCCCCC)C(C)(C)C
InChIInChI=1S/C19H32O/c1-6-8-10-12-14-16-19(20,18(3,4)5)17-15-13-11-9-7-2/h20H,6-13H2,1-5H3
InChIKeyKSFCLUGWRRVPGY-UHFFFAOYSA-N
MW276.46 g/mol
LogP4.93
Rot. Bonds6

About 8-tert-butylpentadeca-6,9-diyn-8-ol

8-tert-butylpentadeca-6,9-diyn-8-ol (PubChem CID 71370532) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 8-tert-butylpentadeca-6,9-diyn-8-ol.

Molecular Properties

Compound Name8-tert-butylpentadeca-6,9-diyn-8-ol
PubChem CID71370532
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name8-tert-butylpentadeca-6,9-diyn-8-ol
SMILESCCCCCC#CC(O)(C#CCCCCC)C(C)(C)C
InChIInChI=1S/C19H32O/c1-6-8-10-12-14-16-19(20,18(3,4)5)17-15-13-11-9-7-2/h20H,6-13H2,1-5H3
InChIKeyKSFCLUGWRRVPGY-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 54.93
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

2,2,3-Trimethylhex-4-yn-3-ol
CID 13268670
3-Hydroxy-2,2,3-tri-methyl-4-heneicosyne
CID 12021388
3,8-Ditert-butyl-2,2,9,9-tetramethyldeca-4,6-diyne-3,8-diol
CID 12384081
3,6-Ditert-butyl-2,2,7,7-tetramethyloct-4-yne-3,6-diol
CID 13805842
(3R)-2,2,3-trimethylhex-4-yn-3-ol
CID 134884628
2,2,3,8,9,9-Hexamethyldeca-4,6-diyne-3,8-diol
CID 4312221
2,2,3-Trimethylnon-4-YN-3-OL
CID 13234813
2,2,3,6,6-Pentamethylhept-4-yn-3-ol
CID 13795706
2,3,3-Trimethylhex-4-yn-2-ol
CID 20765049
3,6-Diethyl-2,2,7,7-tetramethyloct-4-yne-3,6-diol
CID 23110806
2,15,15-Trimethylhexadec-4-yn-2-ol
CID 151650895
Methane;2,2,3,6,6-pentamethylhept-4-yn-3-ol
CID 157603371

Frequently Asked Questions

What is the IUPAC name of 8-tert-butylpentadeca-6,9-diyn-8-ol?
The IUPAC name of 8-tert-butylpentadeca-6,9-diyn-8-ol (CID 71370532) is 8-tert-butylpentadeca-6,9-diyn-8-ol.
What is the SMILES notation for 8-tert-butylpentadeca-6,9-diyn-8-ol?
The canonical SMILES for 8-tert-butylpentadeca-6,9-diyn-8-ol is CCCCCC#CC(O)(C#CCCCCC)C(C)(C)C.
What is the InChIKey of 8-tert-butylpentadeca-6,9-diyn-8-ol?
The InChIKey is KSFCLUGWRRVPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-6-8-10-12-14-16-19(20,18(3,4)5)17-15-13-11-9-7-2/h20H,6-13H2,1-5H3.
What are the key properties of 8-tert-butylpentadeca-6,9-diyn-8-ol?
8-tert-butylpentadeca-6,9-diyn-8-ol has a molecular weight of 276.46 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butylpentadeca-6,9-diyn-8-ol is sourced from PubChem (CID 71370532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).