4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene

C20H38O — CID 23195487

IUPAC4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene
SMILESC=C(CC(C)CC(C)(C)C)OC(=C)CC(C)CC(C)(C)C
InChIInChI=1S/C20H38O/c1-15(13-19(5,6)7)11-17(3)21-18(4)12-16(2)14-20(8,9)10/h15-16H,3-4,11-14H2,1-2,5-10H3
InChIKeyCZGQYZWEIHMPJX-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.96
Rot. Bonds8

About 4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene

4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene (PubChem CID 23195487) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene.

Molecular Properties

Compound Name4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene
PubChem CID23195487
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene
SMILESC=C(CC(C)CC(C)(C)C)OC(=C)CC(C)CC(C)(C)C
InChIInChI=1S/C20H38O/c1-15(13-19(5,6)7)11-17(3)21-18(4)12-16(2)14-20(8,9)10/h15-16H,3-4,11-14H2,1-2,5-10H3
InChIKeyCZGQYZWEIHMPJX-UHFFFAOYSA-N
XLogP6.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.96
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 4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene?
The IUPAC name of 4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene (CID 23195487) is 4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene.
What is the SMILES notation for 4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene?
The canonical SMILES for 4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene is C=C(CC(C)CC(C)(C)C)OC(=C)CC(C)CC(C)(C)C.
What is the InChIKey of 4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene?
The InChIKey is CZGQYZWEIHMPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-15(13-19(5,6)7)11-17(3)21-18(4)12-16(2)14-20(8,9)10/h15-16H,3-4,11-14H2,1-2,5-10H3.
What are the key properties of 4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene?
4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene has a molecular weight of 294.52 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-2-(4,6,6-trimethylhept-1-en-2-yloxy)hept-1-ene is sourced from PubChem (CID 23195487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).