1-(furan-3-yl)-2,2-dimethylbutan-1-ol

C10H16O2 — CID 115797313

IUPAC1-(furan-3-yl)-2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)C(O)c1ccoc1
InChIInChI=1S/C10H16O2/c1-4-10(2,3)9(11)8-5-6-12-7-8/h5-7,9,11H,4H2,1-3H3
InChIKeyQKMZQKIGSSESPD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.75
Rot. Bonds3

About 1-(furan-3-yl)-2,2-dimethylbutan-1-ol

1-(furan-3-yl)-2,2-dimethylbutan-1-ol (PubChem CID 115797313) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(furan-3-yl)-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(furan-3-yl)-2,2-dimethylbutan-1-ol
PubChem CID115797313
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(furan-3-yl)-2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)C(O)c1ccoc1
InChIInChI=1S/C10H16O2/c1-4-10(2,3)9(11)8-5-6-12-7-8/h5-7,9,11H,4H2,1-3H3
InChIKeyQKMZQKIGSSESPD-UHFFFAOYSA-N
XLogP2.75
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol
CID 79138827
2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol
CID 79063322
2-tert-butylsulfanyl-1-(furan-3-yl)ethanol
CID 65132820
1,2-bis(furan-3-yl)ethanol
CID 83172033
2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol
CID 63426075
(4-ethoxyphenyl)-(furan-3-yl)methanol
CID 61100737
3-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]furan
CID 66259979
1-(furan-3-yl)nonadecan-1-ol
CID 10712867
(E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol
CID 132837396
1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105146670
4-chloro-1-(furan-3-yl)butan-1-ol
CID 66045175
furan-3-ylmethanediamine
CID 54545098

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2,2-dimethylbutan-1-ol?
The IUPAC name of 1-(furan-3-yl)-2,2-dimethylbutan-1-ol (CID 115797313) is 1-(furan-3-yl)-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 1-(furan-3-yl)-2,2-dimethylbutan-1-ol?
The canonical SMILES for 1-(furan-3-yl)-2,2-dimethylbutan-1-ol is CCC(C)(C)C(O)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-2,2-dimethylbutan-1-ol?
The InChIKey is QKMZQKIGSSESPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-10(2,3)9(11)8-5-6-12-7-8/h5-7,9,11H,4H2,1-3H3.
What are the key properties of 1-(furan-3-yl)-2,2-dimethylbutan-1-ol?
1-(furan-3-yl)-2,2-dimethylbutan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 115797313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).