(7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol

C19H36O — CID 15672921

IUPAC(7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC#CCO
InChIInChI=1S/C19H36O/c1-17(2)11-9-13-19(4)15-10-14-18(3)12-7-5-6-8-16-20/h17-20H,5,7,9-16H2,1-4H3/t18-,19+/m0/s1
InChIKeyVBDLQRXGNHMUFD-RBUKOAKNSA-N
MW280.50 g/mol
LogP5.42
Rot. Bonds11

About (7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol

(7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol (PubChem CID 15672921) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol.

Molecular Properties

Compound Name(7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol
PubChem CID15672921
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC#CCO
InChIInChI=1S/C19H36O/c1-17(2)11-9-13-19(4)15-10-14-18(3)12-7-5-6-8-16-20/h17-20H,5,7,9-16H2,1-4H3/t18-,19+/m0/s1
InChIKeyVBDLQRXGNHMUFD-RBUKOAKNSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.42
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

(8S)-8-methylhexadeca-2,4-diyn-1-ol
CID 162882095
14-Methyl-8-hexadecyn-1-ol
CID 556973
(R)-(-)-14-Methyl-8-hexadecyn-1-ol
CID 10944926
(14S)-14-Methylhexadec-8-yn-1-ol
CID 12487631
8-Methylnon-2-yn-1-ol
CID 21488113
5-Methylnon-2-yn-1-ol
CID 13598005
(9R)-9-methyltridec-4-yn-1-ol
CID 134994793
8-Methylhexadeca-2,4-diyn-1-ol
CID 10776981
7-Ethylpentadec-8-yn-6-ol
CID 15190948
3,7,11-Trimethyldodec-1-yn-1-ol
CID 15894901
3-Ethyloct-1-yn-1-ol
CID 21116884
4-[(1R,2S)-2-pentylcyclopropyl]-2-butyn-1-ol
CID 86705006

Frequently Asked Questions

What is the IUPAC name of (7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol?
The IUPAC name of (7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol (CID 15672921) is (7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol.
What is the SMILES notation for (7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol?
The canonical SMILES for (7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol is CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC#CCO.
What is the InChIKey of (7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol?
The InChIKey is VBDLQRXGNHMUFD-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H36O/c1-17(2)11-9-13-19(4)15-10-14-18(3)12-7-5-6-8-16-20/h17-20H,5,7,9-16H2,1-4H3/t18-,19+/m0/s1.
What are the key properties of (7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol?
(7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol has a molecular weight of 280.50 g/mol, XLogP of 5.42, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11R)-7,11,15-trimethylhexadec-2-yn-1-ol is sourced from PubChem (CID 15672921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).