(E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene

C18H34O — CID 88509905

IUPAC(E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene
SMILESCC/C=C(/O/C(=C/CC)C(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C18H34O/c1-9-13-15(17(5,6)11-3)19-16(14-10-2)18(7,8)12-4/h13-14H,9-12H2,1-8H3/b15-13+,16-14+
InChIKeyYZNKXUTZDGKEDV-WXUKJITCSA-N
MW266.47 g/mol
LogP6.46
Rot. Bonds8

About (E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene

(E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene (PubChem CID 88509905) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene.

Molecular Properties

Compound Name(E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene
PubChem CID88509905
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene
SMILESCC/C=C(/O/C(=C/CC)C(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C18H34O/c1-9-13-15(17(5,6)11-3)19-16(14-10-2)18(7,8)12-4/h13-14H,9-12H2,1-8H3/b15-13+,16-14+
InChIKeyYZNKXUTZDGKEDV-WXUKJITCSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2',6,6'-tetra-tert-butyl-4,4'-dimethyl-4H,4'H-4,4'-bipyran
CID 91733952
2,4,6-Tri-t-butyl-4h-pyran
CID 12347769
(5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene
CID 135043198
4,4'-bi-4H-pyran, 4,4'-dimethyl-2,2',6,6'-tetrapropyl-
CID 91727305
(E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene
CID 88509911
(Z)-3-[(Z)-2,2-dimethylnon-3-en-3-yl]oxy-2,2-dimethylnon-3-ene
CID 88711859
(Z)-3-but-1-en-2-yloxy-5,5-dimethylhex-2-ene
CID 89324738
(Z)-4-methoxy-2,2,6,6-tetramethylhept-3-ene
CID 156624671
6-Ethyl-4,4-dimethyl-2,3-dihydropyran
CID 163247107
4-(2,7-Dimethyloct-4-en-4-yloxy)-2,7-dimethyloct-4-ene
CID 173274745
4-(5,5-Dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene
CID 173371773
3-(2,2-Dimethylhex-3-en-3-yloxy)-2,2-dimethylhex-3-ene
CID 173371776

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene?
The IUPAC name of (E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene (CID 88509905) is (E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene.
What is the SMILES notation for (E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene?
The canonical SMILES for (E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene is CC/C=C(/O/C(=C/CC)C(C)(C)CC)C(C)(C)CC.
What is the InChIKey of (E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene?
The InChIKey is YZNKXUTZDGKEDV-WXUKJITCSA-N. The full InChI is InChI=1S/C18H34O/c1-9-13-15(17(5,6)11-3)19-16(14-10-2)18(7,8)12-4/h13-14H,9-12H2,1-8H3/b15-13+,16-14+.
What are the key properties of (E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene?
(E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene has a molecular weight of 266.47 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene is sourced from PubChem (CID 88509905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).