(Z)-1-prop-2-ynoxyoctadec-1-ene

C21H38O — CID 87377515

IUPAC(Z)-1-prop-2-ynoxyoctadec-1-ene
SMILESC#CCO/C=C\CCCCCCCCCCCCCCCC
InChIInChI=1S/C21H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h2,19,21H,3,5-18,20H2,1H3/b21-19-
InChIKeyAWRYCMPJEGAEIG-VZCXRCSSSA-N
MW306.53 g/mol
LogP7.02
Rot. Bonds17

About (Z)-1-prop-2-ynoxyoctadec-1-ene

(Z)-1-prop-2-ynoxyoctadec-1-ene (PubChem CID 87377515) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is (Z)-1-prop-2-ynoxyoctadec-1-ene.

Molecular Properties

Compound Name(Z)-1-prop-2-ynoxyoctadec-1-ene
PubChem CID87377515
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name(Z)-1-prop-2-ynoxyoctadec-1-ene
SMILESC#CCO/C=C\CCCCCCCCCCCCCCCC
InChIInChI=1S/C21H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h2,19,21H,3,5-18,20H2,1H3/b21-19-
InChIKeyAWRYCMPJEGAEIG-VZCXRCSSSA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 53422433
CID 53422433
CID 6365701
CID 6365701
CID 3018221
CID 3018221
CID 21972057
CID 21972057
CID 54273952
CID 54273952
CID 57140599
CID 57140599
CID 54362454
CID 54362454
CID 11480871
CID 11480871
CID 11805015
CID 11805015
CID 13215972
CID 13215972
CID 23352955
CID 23352955
CID 57033073
CID 57033073

Frequently Asked Questions

What is the IUPAC name of (Z)-1-prop-2-ynoxyoctadec-1-ene?
The IUPAC name of (Z)-1-prop-2-ynoxyoctadec-1-ene (CID 87377515) is (Z)-1-prop-2-ynoxyoctadec-1-ene.
What is the SMILES notation for (Z)-1-prop-2-ynoxyoctadec-1-ene?
The canonical SMILES for (Z)-1-prop-2-ynoxyoctadec-1-ene is C#CCO/C=C\CCCCCCCCCCCCCCCC.
What is the InChIKey of (Z)-1-prop-2-ynoxyoctadec-1-ene?
The InChIKey is AWRYCMPJEGAEIG-VZCXRCSSSA-N. The full InChI is InChI=1S/C21H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h2,19,21H,3,5-18,20H2,1H3/b21-19-.
What are the key properties of (Z)-1-prop-2-ynoxyoctadec-1-ene?
(Z)-1-prop-2-ynoxyoctadec-1-ene has a molecular weight of 306.53 g/mol, XLogP of 7.02, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-prop-2-ynoxyoctadec-1-ene is sourced from PubChem (CID 87377515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).