3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol

C13H22O2 — CID 101334228

IUPAC3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol
SMILESCc1ccc(C(C)CCC(C)C(C)O)o1
InChIInChI=1S/C13H22O2/c1-9(12(4)14)5-6-10(2)13-8-7-11(3)15-13/h7-10,12,14H,5-6H2,1-4H3
InChIKeyPMGMRJKOEOGDRW-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.49
Rot. Bonds5

About 3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol

3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol (PubChem CID 101334228) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol.

Molecular Properties

Compound Name3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol
PubChem CID101334228
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol
SMILESCc1ccc(C(C)CCC(C)C(C)O)o1
InChIInChI=1S/C13H22O2/c1-9(12(4)14)5-6-10(2)13-8-7-11(3)15-13/h7-10,12,14H,5-6H2,1-4H3
InChIKeyPMGMRJKOEOGDRW-UHFFFAOYSA-N
XLogP3.49
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol?
The IUPAC name of 3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol (CID 101334228) is 3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol.
What is the SMILES notation for 3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol?
The canonical SMILES for 3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol is Cc1ccc(C(C)CCC(C)C(C)O)o1.
What is the InChIKey of 3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol?
The InChIKey is PMGMRJKOEOGDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(12(4)14)5-6-10(2)13-8-7-11(3)15-13/h7-10,12,14H,5-6H2,1-4H3.
What are the key properties of 3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol?
3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol is sourced from PubChem (CID 101334228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).