1-(furan-2-yl)-6-methylheptan-3-ol

C12H20O2 — CID 105085501

IUPAC1-(furan-2-yl)-6-methylheptan-3-ol
SMILESCC(C)CCC(O)CCc1ccco1
InChIInChI=1S/C12H20O2/c1-10(2)5-6-11(13)7-8-12-4-3-9-14-12/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyQUCCUDXUDZPFLX-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.01
Rot. Bonds6

About 1-(furan-2-yl)-6-methylheptan-3-ol

1-(furan-2-yl)-6-methylheptan-3-ol (PubChem CID 105085501) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-6-methylheptan-3-ol.

Molecular Properties

Compound Name1-(furan-2-yl)-6-methylheptan-3-ol
PubChem CID105085501
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(furan-2-yl)-6-methylheptan-3-ol
SMILESCC(C)CCC(O)CCc1ccco1
InChIInChI=1S/C12H20O2/c1-10(2)5-6-11(13)7-8-12-4-3-9-14-12/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyQUCCUDXUDZPFLX-UHFFFAOYSA-N
XLogP3.01
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)hept-6-yn-3-ol
CID 105098567
2-(3-methylhexyl)furan
CID 12840321
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol
CID 55149157
(2R)-4-(furan-2-yl)-2-hydroxybutanoic acid
CID 141032870
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine
CID 64872844
5-(furan-2-yl)-2-methylpentanoic acid
CID 82075109
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
1-(furan-2-yl)-5-methoxyhexan-2-ol
CID 105122918
2-[4-(furan-2-yl)butan-2-ylamino]-N,4-dimethylpentanamide
CID 43750748
1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol
CID 105090556

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-6-methylheptan-3-ol?
The IUPAC name of 1-(furan-2-yl)-6-methylheptan-3-ol (CID 105085501) is 1-(furan-2-yl)-6-methylheptan-3-ol.
What is the SMILES notation for 1-(furan-2-yl)-6-methylheptan-3-ol?
The canonical SMILES for 1-(furan-2-yl)-6-methylheptan-3-ol is CC(C)CCC(O)CCc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-6-methylheptan-3-ol?
The InChIKey is QUCCUDXUDZPFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(2)5-6-11(13)7-8-12-4-3-9-14-12/h3-4,9-11,13H,5-8H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-6-methylheptan-3-ol?
1-(furan-2-yl)-6-methylheptan-3-ol has a molecular weight of 196.29 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-6-methylheptan-3-ol is sourced from PubChem (CID 105085501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).