4,4-dimethylpentadec-1-en-6-yn-5-ol

C17H30O — CID 15174363

IUPAC4,4-dimethylpentadec-1-en-6-yn-5-ol
SMILESC=CCC(C)(C)C(O)C#CCCCCCCCC
InChIInChI=1S/C17H30O/c1-5-7-8-9-10-11-12-13-14-16(18)17(3,4)15-6-2/h6,16,18H,2,5,7-12,15H2,1,3-4H3
InChIKeyDDOYHTPKDHVLEL-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.70
Rot. Bonds9

About 4,4-dimethylpentadec-1-en-6-yn-5-ol

4,4-dimethylpentadec-1-en-6-yn-5-ol (PubChem CID 15174363) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 4,4-dimethylpentadec-1-en-6-yn-5-ol.

Molecular Properties

Compound Name4,4-dimethylpentadec-1-en-6-yn-5-ol
PubChem CID15174363
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name4,4-dimethylpentadec-1-en-6-yn-5-ol
SMILESC=CCC(C)(C)C(O)C#CCCCCCCCC
InChIInChI=1S/C17H30O/c1-5-7-8-9-10-11-12-13-14-16(18)17(3,4)15-6-2/h6,16,18H,2,5,7-12,15H2,1,3-4H3
InChIKeyDDOYHTPKDHVLEL-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Fluoro-7,7-dimethylundec-10-en-4-yn-3-ol
CID 141012200
1-Methoxy-5,5-dimethyloct-7-en-2-yn-4-ol
CID 14271068
4-Hydroxy-heptadec-16-ene-8-yne
CID 129866459
5-Ethenyl-5-propyloct-7-en-4-ol
CID 20501680
5-Ethenyl-5-methyloct-7-en-4-ol
CID 20501681
5-Ethenyl-5-ethyloct-7-en-4-ol
CID 20501828
4,4-Dimethyl-non-1-en-5-ol
CID 59016582
(5R)-4-methyl-4-prop-2-enylnon-1-en-5-ol
CID 89306773
4-Methyl-4-prop-2-enylnon-1-en-5-ol
CID 89309228
4,4-Dimethyloct-7-en-3-ol
CID 140393239
(E)-11,11,15,15-tetramethylhexadec-6-en-1-yn-3-ol
CID 155727846
(4R)-6,6-dimethyloct-7-en-1-yn-4-ol;methane;(5R)-3,3,5-trimethyloct-1-en-7-yne
CID 161329766

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentadec-1-en-6-yn-5-ol?
The IUPAC name of 4,4-dimethylpentadec-1-en-6-yn-5-ol (CID 15174363) is 4,4-dimethylpentadec-1-en-6-yn-5-ol.
What is the SMILES notation for 4,4-dimethylpentadec-1-en-6-yn-5-ol?
The canonical SMILES for 4,4-dimethylpentadec-1-en-6-yn-5-ol is C=CCC(C)(C)C(O)C#CCCCCCCCC.
What is the InChIKey of 4,4-dimethylpentadec-1-en-6-yn-5-ol?
The InChIKey is DDOYHTPKDHVLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-5-7-8-9-10-11-12-13-14-16(18)17(3,4)15-6-2/h6,16,18H,2,5,7-12,15H2,1,3-4H3.
What are the key properties of 4,4-dimethylpentadec-1-en-6-yn-5-ol?
4,4-dimethylpentadec-1-en-6-yn-5-ol has a molecular weight of 250.43 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentadec-1-en-6-yn-5-ol is sourced from PubChem (CID 15174363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).