(E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene

C22H42O — CID 87707000

IUPAC(E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene
SMILESCCCCCC(CC)/C(C)=C/O/C=C(\C)C(CC)CCCCC
InChIInChI=1S/C22H42O/c1-7-11-13-15-21(9-3)19(5)17-23-18-20(6)22(10-4)16-14-12-8-2/h17-18,21-22H,7-16H2,1-6H3/b19-17+,20-18+
InChIKeyHQKGGKZTLDZFHM-XPWSMXQVSA-N
MW322.58 g/mol
LogP8.02
Rot. Bonds14

About (E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene

(E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene (PubChem CID 87707000) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is (E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene.

Molecular Properties

Compound Name(E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene
PubChem CID87707000
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name(E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene
SMILESCCCCCC(CC)/C(C)=C/O/C=C(\C)C(CC)CCCCC
InChIInChI=1S/C22H42O/c1-7-11-13-15-21(9-3)19(5)17-23-18-20(6)22(10-4)16-14-12-8-2/h17-18,21-22H,7-16H2,1-6H3/b19-17+,20-18+
InChIKeyHQKGGKZTLDZFHM-XPWSMXQVSA-N
XLogP8.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 58.02
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'}

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Related Compounds

8-but-2-en-2-ylpentadecane
CID 174945434
3-ethyl-2-methyldodec-1-ene
CID 174845873
7,10-diethylhexadecane-8,9-dione
CID 150805323
azane;2-ethyldodecanamide
CID 174462460
ethyl 2-ethyldocosanoate
CID 175304380
formyl 2-ethyltridecanoate
CID 174857342
5-ethylpentadecane-2,4-dione
CID 11715963
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
(4S)-4-ethyldecan-3-one
CID 134895926
hexadecyl 2-ethyldecanoate
CID 22665192
decyl 2-ethyldecanoate
CID 22665194

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene?
The IUPAC name of (E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene (CID 87707000) is (E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene.
What is the SMILES notation for (E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene?
The canonical SMILES for (E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene is CCCCCC(CC)/C(C)=C/O/C=C(\C)C(CC)CCCCC.
What is the InChIKey of (E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene?
The InChIKey is HQKGGKZTLDZFHM-XPWSMXQVSA-N. The full InChI is InChI=1S/C22H42O/c1-7-11-13-15-21(9-3)19(5)17-23-18-20(6)22(10-4)16-14-12-8-2/h17-18,21-22H,7-16H2,1-6H3/b19-17+,20-18+.
What are the key properties of (E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene?
(E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene has a molecular weight of 322.58 g/mol, XLogP of 8.02, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-1-[(E)-3-ethyl-2-methyloct-1-enoxy]-2-methyloct-1-ene is sourced from PubChem (CID 87707000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).