(E)-7-methyl-1-propoxyoctadec-8-ene

C22H44O — CID 126586442

IUPAC(E)-7-methyl-1-propoxyoctadec-8-ene
SMILESCCCCCCCCC/C=C/C(C)CCCCCCOCCC
InChIInChI=1S/C22H44O/c1-4-6-7-8-9-10-11-12-15-18-22(3)19-16-13-14-17-21-23-20-5-2/h15,18,22H,4-14,16-17,19-21H2,1-3H3/b18-15+
InChIKeyMALRDCKTZIUTLM-OBGWFSINSA-N
MW324.59 g/mol
LogP7.70
Rot. Bonds18

About (E)-7-methyl-1-propoxyoctadec-8-ene

(E)-7-methyl-1-propoxyoctadec-8-ene (PubChem CID 126586442) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is (E)-7-methyl-1-propoxyoctadec-8-ene.

Molecular Properties

Compound Name(E)-7-methyl-1-propoxyoctadec-8-ene
PubChem CID126586442
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name(E)-7-methyl-1-propoxyoctadec-8-ene
SMILESCCCCCCCCC/C=C/C(C)CCCCCCOCCC
InChIInChI=1S/C22H44O/c1-4-6-7-8-9-10-11-12-15-18-22(3)19-16-13-14-17-21-23-20-5-2/h15,18,22H,4-14,16-17,19-21H2,1-3H3/b18-15+
InChIKeyMALRDCKTZIUTLM-OBGWFSINSA-N
XLogP7.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-7-methyloctadec-8-enoxy]methanamine
CID 155014981
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
7-methylhexadec-5-ene
CID 150059561
5-methylpentadec-6-ene
CID 123440014
5-methyldodec-6-ene
CID 86165480
(Z)-1-(2-propoxyethoxy)octadec-9-ene
CID 121476688
(Z)-13-propoxytridec-5-ene
CID 87204974
(Z)-1-butoxyheptadec-8-ene
CID 87205101
(E)-3-methylundec-4-en-1-ol
CID 121006781
9-methyloctadec-10-enylcyclobutane
CID 123534586
[(Z)-9-methylpentadec-10-enyl] acetate
CID 5364576

Frequently Asked Questions

What is the IUPAC name of (E)-7-methyl-1-propoxyoctadec-8-ene?
The IUPAC name of (E)-7-methyl-1-propoxyoctadec-8-ene (CID 126586442) is (E)-7-methyl-1-propoxyoctadec-8-ene.
What is the SMILES notation for (E)-7-methyl-1-propoxyoctadec-8-ene?
The canonical SMILES for (E)-7-methyl-1-propoxyoctadec-8-ene is CCCCCCCCC/C=C/C(C)CCCCCCOCCC.
What is the InChIKey of (E)-7-methyl-1-propoxyoctadec-8-ene?
The InChIKey is MALRDCKTZIUTLM-OBGWFSINSA-N. The full InChI is InChI=1S/C22H44O/c1-4-6-7-8-9-10-11-12-15-18-22(3)19-16-13-14-17-21-23-20-5-2/h15,18,22H,4-14,16-17,19-21H2,1-3H3/b18-15+.
What are the key properties of (E)-7-methyl-1-propoxyoctadec-8-ene?
(E)-7-methyl-1-propoxyoctadec-8-ene has a molecular weight of 324.59 g/mol, XLogP of 7.70, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methyl-1-propoxyoctadec-8-ene is sourced from PubChem (CID 126586442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).