1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene

C16H30O — CID 57311767

IUPAC1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene
SMILESCC(C)(C)CC=CCOCC=CCC(C)(C)C
InChIInChI=1S/C16H30O/c1-15(2,3)11-7-9-13-17-14-10-8-12-16(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeySIPSSSUBRXHQAP-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.99
Rot. Bonds6

About 1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene

1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene (PubChem CID 57311767) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene.

Molecular Properties

Compound Name1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene
PubChem CID57311767
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene
SMILESCC(C)(C)CC=CCOCC=CCC(C)(C)C
InChIInChI=1S/C16H30O/c1-15(2,3)11-7-9-13-17-14-10-8-12-16(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeySIPSSSUBRXHQAP-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene?
The IUPAC name of 1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene (CID 57311767) is 1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene.
What is the SMILES notation for 1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene?
The canonical SMILES for 1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene is CC(C)(C)CC=CCOCC=CCC(C)(C)C.
What is the InChIKey of 1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene?
The InChIKey is SIPSSSUBRXHQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-15(2,3)11-7-9-13-17-14-10-8-12-16(4,5)6/h7-10H,11-14H2,1-6H3.
What are the key properties of 1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene?
1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene has a molecular weight of 238.41 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylhex-2-enoxy)-5,5-dimethylhex-2-ene is sourced from PubChem (CID 57311767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).