3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene

C16H30O — CID 22151661

IUPAC3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene
SMILESC=CC(OC(C=C)C(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C16H30O/c1-9-13(15(5,6)11-3)17-14(10-2)16(7,8)12-4/h9-10,13-14H,1-2,11-12H2,3-8H3
InChIKeyIUOJUCDJJFLPFN-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.98
Rot. Bonds8

About 3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene

3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene (PubChem CID 22151661) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene.

Molecular Properties

Compound Name3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene
PubChem CID22151661
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene
SMILESC=CC(OC(C=C)C(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C16H30O/c1-9-13(15(5,6)11-3)17-14(10-2)16(7,8)12-4/h9-10,13-14H,1-2,11-12H2,3-8H3
InChIKeyIUOJUCDJJFLPFN-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene?
The IUPAC name of 3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene (CID 22151661) is 3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene.
What is the SMILES notation for 3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene?
The canonical SMILES for 3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene is C=CC(OC(C=C)C(C)(C)CC)C(C)(C)CC.
What is the InChIKey of 3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene?
The InChIKey is IUOJUCDJJFLPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-9-13(15(5,6)11-3)17-14(10-2)16(7,8)12-4/h9-10,13-14H,1-2,11-12H2,3-8H3.
What are the key properties of 3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene?
3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene has a molecular weight of 238.41 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene is sourced from PubChem (CID 22151661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).