4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene

C15H28O — CID 170647110

IUPAC4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene
SMILESC=C(CCC)OC(=C)CC(C)(C)CC(C)C
InChIInChI=1S/C15H28O/c1-8-9-13(4)16-14(5)11-15(6,7)10-12(2)3/h12H,4-5,8-11H2,1-3,6-7H3
InChIKeyQTBMRQNOZHXVTR-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.29
Rot. Bonds8

About 4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene

4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene (PubChem CID 170647110) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene.

Molecular Properties

Compound Name4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene
PubChem CID170647110
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene
SMILESC=C(CCC)OC(=C)CC(C)(C)CC(C)C
InChIInChI=1S/C15H28O/c1-8-9-13(4)16-14(5)11-15(6,7)10-12(2)3/h12H,4-5,8-11H2,1-3,6-7H3
InChIKeyQTBMRQNOZHXVTR-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.29
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 4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene?
The IUPAC name of 4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene (CID 170647110) is 4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene.
What is the SMILES notation for 4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene?
The canonical SMILES for 4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene is C=C(CCC)OC(=C)CC(C)(C)CC(C)C.
What is the InChIKey of 4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene?
The InChIKey is QTBMRQNOZHXVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-8-9-13(4)16-14(5)11-15(6,7)10-12(2)3/h12H,4-5,8-11H2,1-3,6-7H3.
What are the key properties of 4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene?
4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene has a molecular weight of 224.39 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-pent-1-en-2-yloxyhept-1-ene is sourced from PubChem (CID 170647110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).