2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran

C14H22O — CID 579804

IUPAC2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran
SMILESC=C(C)CCCC(C)(C)c1ccc(C)o1
InChIInChI=1S/C14H22O/c1-11(2)7-6-10-14(4,5)13-9-8-12(3)15-13/h8-9H,1,6-7,10H2,2-5H3
InChIKeyGHWXKPRRVHJBAE-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.61
Rot. Bonds5

About 2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran

2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran (PubChem CID 579804) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran.

Molecular Properties

Compound Name2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran
PubChem CID579804
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran
SMILESC=C(C)CCCC(C)(C)c1ccc(C)o1
InChIInChI=1S/C14H22O/c1-11(2)7-6-10-14(4,5)13-9-8-12(3)15-13/h8-9H,1,6-7,10H2,2-5H3
InChIKeyGHWXKPRRVHJBAE-UHFFFAOYSA-N
XLogP4.61
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.61
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 2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran?
The IUPAC name of 2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran (CID 579804) is 2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran.
What is the SMILES notation for 2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran?
The canonical SMILES for 2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran is C=C(C)CCCC(C)(C)c1ccc(C)o1.
What is the InChIKey of 2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran?
The InChIKey is GHWXKPRRVHJBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)7-6-10-14(4,5)13-9-8-12(3)15-13/h8-9H,1,6-7,10H2,2-5H3.
What are the key properties of 2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran?
2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran has a molecular weight of 206.33 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran is sourced from PubChem (CID 579804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).