(Z)-18-methylicos-3-en-1-yn-5-ol

C21H38O — CID 171118598

IUPAC(Z)-18-methylicos-3-en-1-yn-5-ol
SMILESC#C/C=C\C(O)CCCCCCCCCCCCC(C)CC
InChIInChI=1S/C21H38O/c1-4-6-18-21(22)19-16-14-12-10-8-7-9-11-13-15-17-20(3)5-2/h1,6,18,20-22H,5,7-17,19H2,2-3H3/b18-6-
InChIKeyLRDVWRFFWZDNBB-FXBPXSCXSA-N
MW306.53 g/mol
LogP6.26
Rot. Bonds15

About (Z)-18-methylicos-3-en-1-yn-5-ol

(Z)-18-methylicos-3-en-1-yn-5-ol (PubChem CID 171118598) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is (Z)-18-methylicos-3-en-1-yn-5-ol.

Molecular Properties

Compound Name(Z)-18-methylicos-3-en-1-yn-5-ol
PubChem CID171118598
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name(Z)-18-methylicos-3-en-1-yn-5-ol
SMILESC#C/C=C\C(O)CCCCCCCCCCCCC(C)CC
InChIInChI=1S/C21H38O/c1-4-6-18-21(22)19-16-14-12-10-8-7-9-11-13-15-17-20(3)5-2/h1,6,18,20-22H,5,7-17,19H2,2-3H3/b18-6-
InChIKeyLRDVWRFFWZDNBB-FXBPXSCXSA-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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-2-buten-1-ol (c,t)
CID 5358342
(4E,15E)-21-methyldocosa-4,15-dien-1-yn-3-ol
CID 5353334
Epimukulol
CID 13255923
14-Methyl-8-hexadecen-1-ol
CID 5283286
(E,3S)-16-methylicos-4-en-1-yn-3-ol
CID 5469778
(E,3S)-19-methylicos-4-en-1-yn-3-ol
CID 5469779
(3S,4E,15Z)-21-methyldocosa-4,15-dien-1-yn-3-ol
CID 5469780
(E,3S)-14-methyldocos-4-en-1-yn-3-ol
CID 5469781
(E,3R)-16-methylicos-4-en-1-yn-3-ol
CID 9995341
(E,3R)-19-methylicos-4-en-1-yn-3-ol
CID 10063778
Strongylodiol C
CID 10548347
(E,3R)-14-methyldocos-4-en-1-yn-3-ol
CID 10382264

Frequently Asked Questions

What is the IUPAC name of (Z)-18-methylicos-3-en-1-yn-5-ol?
The IUPAC name of (Z)-18-methylicos-3-en-1-yn-5-ol (CID 171118598) is (Z)-18-methylicos-3-en-1-yn-5-ol.
What is the SMILES notation for (Z)-18-methylicos-3-en-1-yn-5-ol?
The canonical SMILES for (Z)-18-methylicos-3-en-1-yn-5-ol is C#C/C=C\C(O)CCCCCCCCCCCCC(C)CC.
What is the InChIKey of (Z)-18-methylicos-3-en-1-yn-5-ol?
The InChIKey is LRDVWRFFWZDNBB-FXBPXSCXSA-N. The full InChI is InChI=1S/C21H38O/c1-4-6-18-21(22)19-16-14-12-10-8-7-9-11-13-15-17-20(3)5-2/h1,6,18,20-22H,5,7-17,19H2,2-3H3/b18-6-.
What are the key properties of (Z)-18-methylicos-3-en-1-yn-5-ol?
(Z)-18-methylicos-3-en-1-yn-5-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 (Z)-18-methylicos-3-en-1-yn-5-ol is sourced from PubChem (CID 171118598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).