4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene

C18H34O — CID 176899565

IUPAC4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene
SMILESCCCC(=CC(C)(C)C)OC(=CC(C)(C)C)CCC
InChIInChI=1S/C18H34O/c1-9-11-15(13-17(3,4)5)19-16(12-10-2)14-18(6,7)8/h13-14H,9-12H2,1-8H3
InChIKeyIHXSENHBUNGVBB-UHFFFAOYSA-N
MW266.47 g/mol
LogP6.46
Rot. Bonds6

About 4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene

4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene (PubChem CID 176899565) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene.

Molecular Properties

Compound Name4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene
PubChem CID176899565
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene
SMILESCCCC(=CC(C)(C)C)OC(=CC(C)(C)C)CCC
InChIInChI=1S/C18H34O/c1-9-11-15(13-17(3,4)5)19-16(12-10-2)14-18(6,7)8/h13-14H,9-12H2,1-8H3
InChIKeyIHXSENHBUNGVBB-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

4,4'-bi-4H-pyran, 4,4'-dimethyl-2,2',6,6'-tetrapropyl-
CID 91727305
2-Methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene
CID 57000642
3-Oct-3-en-3-yloxyoct-3-ene
CID 57196331
2-(4,4-Dimethylpent-2-en-2-yloxy)-4,4-dimethylpent-2-ene
CID 57226625
(E)-4-[(E)-oct-3-en-4-yl]oxyoct-3-ene
CID 87848498
(Z)-5-methyl-3-[(Z)-5-methylhex-2-en-3-yl]oxyhex-2-ene
CID 87913402
(Z)-3-[(Z)-hex-2-en-3-yl]oxyhex-2-ene
CID 87913404
3-Hex-2-en-3-yloxyhex-2-ene
CID 87913405
(2Z,6Z)-2,6-bis(prop-1-en-2-yloxy)octa-2,6-diene
CID 88066527
(Z)-5-[(Z)-dec-5-en-5-yl]oxydec-5-ene
CID 88085754
5-Dec-5-en-5-yloxydec-5-ene
CID 88085755
(E)-4-[(E)-5,5-dimethylhept-3-en-4-yl]oxy-5,5-dimethylhept-3-ene
CID 88509905

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene?
The IUPAC name of 4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene (CID 176899565) is 4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene.
What is the SMILES notation for 4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene?
The canonical SMILES for 4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene is CCCC(=CC(C)(C)C)OC(=CC(C)(C)C)CCC.
What is the InChIKey of 4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene?
The InChIKey is IHXSENHBUNGVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-9-11-15(13-17(3,4)5)19-16(12-10-2)14-18(6,7)8/h13-14H,9-12H2,1-8H3.
What are the key properties of 4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene?
4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene has a molecular weight of 266.47 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylhept-3-en-4-yloxy)-2,2-dimethylhept-3-ene is sourced from PubChem (CID 176899565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).