3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene

C18H34O — CID 91174949

IUPAC3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene
SMILESCC(C=COC=CC(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C18H34O/c1-15(13-17(3,4)5)9-11-19-12-10-16(2)14-18(6,7)8/h9-12,15-16H,13-14H2,1-8H3
InChIKeyBBSNDIUYDBEPFW-UHFFFAOYSA-N
MW266.47 g/mol
LogP6.18
Rot. Bonds6

About 3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene

3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene (PubChem CID 91174949) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene.

Molecular Properties

Compound Name3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene
PubChem CID91174949
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene
SMILESCC(C=COC=CC(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C18H34O/c1-15(13-17(3,4)5)9-11-19-12-10-16(2)14-18(6,7)8/h9-12,15-16H,13-14H2,1-8H3
InChIKeyBBSNDIUYDBEPFW-UHFFFAOYSA-N
XLogP6.18
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 ≤ 56.18
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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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene?
The IUPAC name of 3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene (CID 91174949) is 3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene.
What is the SMILES notation for 3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene?
The canonical SMILES for 3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene is CC(C=COC=CC(C)CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene?
The InChIKey is BBSNDIUYDBEPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-15(13-17(3,4)5)9-11-19-12-10-16(2)14-18(6,7)8/h9-12,15-16H,13-14H2,1-8H3.
What are the key properties of 3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene?
3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene has a molecular weight of 266.47 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-(3,5,5-trimethylhex-1-enoxy)hex-1-ene is sourced from PubChem (CID 91174949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).