19-methylicos-4-en-1-yn-3-ol

C21H38O — CID 1660

IUPAC19-methylicos-4-en-1-yn-3-ol
SMILESC#CC(O)C=CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C21H38O/c1-4-21(22)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(2)3/h1,17,19-22H,5-16,18H2,2-3H3
InChIKeyWWRPDXSKUHAOGI-UHFFFAOYSA-N
MW306.53 g/mol
LogP6.26
Rot. Bonds15

About 19-methylicos-4-en-1-yn-3-ol

19-methylicos-4-en-1-yn-3-ol (PubChem CID 1660) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is 19-methylicos-4-en-1-yn-3-ol.

Molecular Properties

Compound Name19-methylicos-4-en-1-yn-3-ol
PubChem CID1660
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name19-methylicos-4-en-1-yn-3-ol
SMILESC#CC(O)C=CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C21H38O/c1-4-21(22)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(2)3/h1,17,19-22H,5-16,18H2,2-3H3
InChIKeyWWRPDXSKUHAOGI-UHFFFAOYSA-N
XLogP6.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 56.26
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

(3R,4E,26E,28R)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol
CID 162943596
(3R,4E,11E,17E,28E,30R)-dotriaconta-4,11,17,28-tetraen-1,31-diyne-3,30-diol
CID 53262797
(3S,4Z,15E,26E,28S)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol
CID 162943598
(E,3R)-14-methyldocos-4-en-1-yn-3-ol
CID 10382264
(E)-16-methylicos-4-en-1-yn-3-ol
CID 5353332
(E,3S)-henicos-4-en-1-yn-3-ol
CID 5469782
(3S,4E)-docosa-4,15-dien-1-yn-3-ol
CID 163029238
icosa-4,13-dien-1-yn-3-ol
CID 163112599
tricosa-4,16-dien-1-yn-3-ol
CID 163109025
(Z)-2,15-dimethylhexadec-3-ene
CID 176630983
(Z)-2,13-dimethyltetradec-3-ene
CID 176630936
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952

Frequently Asked Questions

What is the IUPAC name of 19-methylicos-4-en-1-yn-3-ol?
The IUPAC name of 19-methylicos-4-en-1-yn-3-ol (CID 1660) is 19-methylicos-4-en-1-yn-3-ol.
What is the SMILES notation for 19-methylicos-4-en-1-yn-3-ol?
The canonical SMILES for 19-methylicos-4-en-1-yn-3-ol is C#CC(O)C=CCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 19-methylicos-4-en-1-yn-3-ol?
The InChIKey is WWRPDXSKUHAOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O/c1-4-21(22)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(2)3/h1,17,19-22H,5-16,18H2,2-3H3.
What are the key properties of 19-methylicos-4-en-1-yn-3-ol?
19-methylicos-4-en-1-yn-3-ol has a molecular weight of 306.53 g/mol, XLogP of 6.26, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-methylicos-4-en-1-yn-3-ol is sourced from PubChem (CID 1660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).