(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene

C30H58O — CID 90470665

IUPAC(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene
SMILESCCCCCCCCCCCC/C=C(\C)O/C(C)=C/CCCCCCCCCCCC
InChIInChI=1S/C30H58O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29(3)31-30(4)28-26-24-22-20-18-16-14-12-10-8-6-2/h27-28H,5-26H2,1-4H3/b29-27+,30-28+
InChIKeySFITWGLKWCKGID-QAVVBOBSSA-N
MW434.79 g/mol
LogP11.43
Rot. Bonds24

About (E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene

(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene (PubChem CID 90470665) has the molecular formula C30H58O and a molecular weight of 434.79 g/mol. Its IUPAC name is (E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene.

Molecular Properties

Compound Name(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene
PubChem CID90470665
Molecular FormulaC30H58O
Molecular Weight434.79 g/mol
Exact Mass434.45
IUPAC Name(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene
SMILESCCCCCCCCCCCC/C=C(\C)O/C(C)=C/CCCCCCCCCCCC
InChIInChI=1S/C30H58O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29(3)31-30(4)28-26-24-22-20-18-16-14-12-10-8-6-2/h27-28H,5-26H2,1-4H3/b29-27+,30-28+
InChIKeySFITWGLKWCKGID-QAVVBOBSSA-N
XLogP11.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.79
LogP ≤ 511.43
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'}

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Related Compounds

bis(oct-2-en-2-yl) (E)-but-2-enedioate
CID 139691536
[(E)-oct-2-en-2-yl] prop-2-enoate
CID 50900903
(Z)-3-methylpentadec-3-ene
CID 14954714
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
3-methyloctadec-3-ene
CID 91073568
trimethyl-[(Z)-oct-2-en-2-yl]oxysilane
CID 11275679
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
(E)-3-methylnon-3-ene
CID 5364647
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
4-(5-hydroxypent-2-en-2-yloxy)pent-3-en-1-ol
CID 141072795
(Z)-2-methoxyhept-2-ene
CID 21160203

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene?
The IUPAC name of (E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene (CID 90470665) is (E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene.
What is the SMILES notation for (E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene?
The canonical SMILES for (E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene is CCCCCCCCCCCC/C=C(\C)O/C(C)=C/CCCCCCCCCCCC.
What is the InChIKey of (E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene?
The InChIKey is SFITWGLKWCKGID-QAVVBOBSSA-N. The full InChI is InChI=1S/C30H58O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29(3)31-30(4)28-26-24-22-20-18-16-14-12-10-8-6-2/h27-28H,5-26H2,1-4H3/b29-27+,30-28+.
What are the key properties of (E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene?
(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene has a molecular weight of 434.79 g/mol, XLogP of 11.43, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene is sourced from PubChem (CID 90470665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).