1-(furan-2-yl)-2-methyloctan-1-ol

C13H22O2 — CID 44721006

IUPAC1-(furan-2-yl)-2-methyloctan-1-ol
SMILESCCCCCCC(C)C(O)c1ccco1
InChIInChI=1S/C13H22O2/c1-3-4-5-6-8-11(2)13(14)12-9-7-10-15-12/h7,9-11,13-14H,3-6,8H2,1-2H3
InChIKeyUUGZVBHKBMAKHZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.92
Rot. Bonds7

About 1-(furan-2-yl)-2-methyloctan-1-ol

1-(furan-2-yl)-2-methyloctan-1-ol (PubChem CID 44721006) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-methyloctan-1-ol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-methyloctan-1-ol
PubChem CID44721006
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(furan-2-yl)-2-methyloctan-1-ol
SMILESCCCCCCC(C)C(O)c1ccco1
InChIInChI=1S/C13H22O2/c1-3-4-5-6-8-11(2)13(14)12-9-7-10-15-12/h7,9-11,13-14H,3-6,8H2,1-2H3
InChIKeyUUGZVBHKBMAKHZ-UHFFFAOYSA-N
XLogP3.92
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)decan-1-ol
CID 11085452
2-nonan-2-ylfuran
CID 160791396
(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol
CID 11957999
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
1-(furan-2-yl)decan-1-amine
CID 62716123
3-(dimethylamino)-1-(furan-2-yl)-2-methylpropan-1-ol
CID 175069867
2-(furan-2-yl)tridecanal
CID 175449616
dimethanidyl(dimethyl)silane;1-(furan-2-yl)pentan-1-ol;titanium(2+)
CID 20687674
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
2-(aminomethyl)-1-(furan-2-yl)pentan-1-ol
CID 79412972
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
1-(furan-2-yl)-2-methylbutane-1,3-diol
CID 72990739

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-methyloctan-1-ol?
The IUPAC name of 1-(furan-2-yl)-2-methyloctan-1-ol (CID 44721006) is 1-(furan-2-yl)-2-methyloctan-1-ol.
What is the SMILES notation for 1-(furan-2-yl)-2-methyloctan-1-ol?
The canonical SMILES for 1-(furan-2-yl)-2-methyloctan-1-ol is CCCCCCC(C)C(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-methyloctan-1-ol?
The InChIKey is UUGZVBHKBMAKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-4-5-6-8-11(2)13(14)12-9-7-10-15-12/h7,9-11,13-14H,3-6,8H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-methyloctan-1-ol?
1-(furan-2-yl)-2-methyloctan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-methyloctan-1-ol is sourced from PubChem (CID 44721006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).