5-(furan-2-yl)-3-methylheptan-3-ol

C12H20O2 — CID 14952522

IUPAC5-(furan-2-yl)-3-methylheptan-3-ol
SMILESCCC(CC(C)(O)CC)c1ccco1
InChIInChI=1S/C12H20O2/c1-4-10(9-12(3,13)5-2)11-7-6-8-14-11/h6-8,10,13H,4-5,9H2,1-3H3
InChIKeyAKRODOHGWOLPPC-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.32
Rot. Bonds5

About 5-(furan-2-yl)-3-methylheptan-3-ol

5-(furan-2-yl)-3-methylheptan-3-ol (PubChem CID 14952522) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-methylheptan-3-ol.

Molecular Properties

Compound Name5-(furan-2-yl)-3-methylheptan-3-ol
PubChem CID14952522
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-(furan-2-yl)-3-methylheptan-3-ol
SMILESCCC(CC(C)(O)CC)c1ccco1
InChIInChI=1S/C12H20O2/c1-4-10(9-12(3,13)5-2)11-7-6-8-14-11/h6-8,10,13H,4-5,9H2,1-3H3
InChIKeyAKRODOHGWOLPPC-UHFFFAOYSA-N
XLogP3.32
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)propane-1-thiol
CID 62631809
3-methyl-1-phenylpentane-1,3-diol
CID 173455419
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
2-(aminomethyl)-1-(furan-2-yl)-2-methylbutan-1-ol
CID 79135708
1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol
CID 115719475
1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol
CID 103027526
1-[1-(furan-2-yl)ethylamino]-2-methylpropan-2-ol
CID 60885068
N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine
CID 62679358
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol
CID 130059387
1-(furan-2-yl)-3,3-dimethylbutan-1-amine;hydrochloride
CID 86263034
3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993461

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-methylheptan-3-ol?
The IUPAC name of 5-(furan-2-yl)-3-methylheptan-3-ol (CID 14952522) is 5-(furan-2-yl)-3-methylheptan-3-ol.
What is the SMILES notation for 5-(furan-2-yl)-3-methylheptan-3-ol?
The canonical SMILES for 5-(furan-2-yl)-3-methylheptan-3-ol is CCC(CC(C)(O)CC)c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-3-methylheptan-3-ol?
The InChIKey is AKRODOHGWOLPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-10(9-12(3,13)5-2)11-7-6-8-14-11/h6-8,10,13H,4-5,9H2,1-3H3.
What are the key properties of 5-(furan-2-yl)-3-methylheptan-3-ol?
5-(furan-2-yl)-3-methylheptan-3-ol has a molecular weight of 196.29 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-methylheptan-3-ol is sourced from PubChem (CID 14952522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).