3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene

C18H34O — CID 87325281

IUPAC3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene
SMILESC=CC(C)CC(C)(C)COCC(C)(C)CC(C)C=C
InChIInChI=1S/C18H34O/c1-9-15(3)11-17(5,6)13-19-14-18(7,8)12-16(4)10-2/h9-10,15-16H,1-2,11-14H2,3-8H3
InChIKeyROXHQKSGSRIDCR-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.48
Rot. Bonds10

About 3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene

3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene (PubChem CID 87325281) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene.

Molecular Properties

Compound Name3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene
PubChem CID87325281
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene
SMILESC=CC(C)CC(C)(C)COCC(C)(C)CC(C)C=C
InChIInChI=1S/C18H34O/c1-9-15(3)11-17(5,6)13-19-14-18(7,8)12-16(4)10-2/h9-10,15-16H,1-2,11-14H2,3-8H3
InChIKeyROXHQKSGSRIDCR-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.48
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 3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene?
The IUPAC name of 3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene (CID 87325281) is 3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene.
What is the SMILES notation for 3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene?
The canonical SMILES for 3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene is C=CC(C)CC(C)(C)COCC(C)(C)CC(C)C=C.
What is the InChIKey of 3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene?
The InChIKey is ROXHQKSGSRIDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-9-15(3)11-17(5,6)13-19-14-18(7,8)12-16(4)10-2/h9-10,15-16H,1-2,11-14H2,3-8H3.
What are the key properties of 3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene?
3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene has a molecular weight of 266.47 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-6-(2,2,4-trimethylhex-5-enoxy)hex-1-ene is sourced from PubChem (CID 87325281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).