5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran

C14H26O — CID 66913080

IUPAC5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran
SMILESCC1=CC(CCC(C)CC(C)(C)C)CO1
InChIInChI=1S/C14H26O/c1-11(9-14(3,4)5)6-7-13-8-12(2)15-10-13/h8,11,13H,6-7,9-10H2,1-5H3
InChIKeyHXERJKADSSIDCU-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.39
Rot. Bonds4

About 5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran

5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran (PubChem CID 66913080) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran.

Molecular Properties

Compound Name5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran
PubChem CID66913080
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran
SMILESCC1=CC(CCC(C)CC(C)(C)C)CO1
InChIInChI=1S/C14H26O/c1-11(9-14(3,4)5)6-7-13-8-12(2)15-10-13/h8,11,13H,6-7,9-10H2,1-5H3
InChIKeyHXERJKADSSIDCU-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran?
The IUPAC name of 5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran (CID 66913080) is 5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran.
What is the SMILES notation for 5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran?
The canonical SMILES for 5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran is CC1=CC(CCC(C)CC(C)(C)C)CO1.
What is the InChIKey of 5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran?
The InChIKey is HXERJKADSSIDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(9-14(3,4)5)6-7-13-8-12(2)15-10-13/h8,11,13H,6-7,9-10H2,1-5H3.
What are the key properties of 5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran?
5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran has a molecular weight of 210.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran is sourced from PubChem (CID 66913080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).