2,2-di(propan-2-yl)-3H-furan

C10H18O — CID 45091822

IUPAC2,2-di(propan-2-yl)-3H-furan
SMILESCC(C)C1(C(C)C)CC=CO1
InChIInChI=1S/C10H18O/c1-8(2)10(9(3)4)6-5-7-11-10/h5,7-9H,6H2,1-4H3
InChIKeyBQHFWWLPCNZCPD-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.97
Rot. Bonds2

About 2,2-di(propan-2-yl)-3H-furan

2,2-di(propan-2-yl)-3H-furan (PubChem CID 45091822) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)-3H-furan.

Molecular Properties

Compound Name2,2-di(propan-2-yl)-3H-furan
PubChem CID45091822
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,2-di(propan-2-yl)-3H-furan
SMILESCC(C)C1(C(C)C)CC=CO1
InChIInChI=1S/C10H18O/c1-8(2)10(9(3)4)6-5-7-11-10/h5,7-9H,6H2,1-4H3
InChIKeyBQHFWWLPCNZCPD-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Butan-2-yl-2,3-dihydrofuran
CID 549617
Isopropyldihydrofuran
CID 85620083
2-methyl-2-propan-2-yl-3-(trifluoromethyl)-3H-furan
CID 156562286
4-butan-2-yl-4H-pyran
CID 10725412
[(E)-2-ethoxyethenyl]cyclopentane
CID 13163943
2,2-diethyl-3H-furan
CID 15534112
(E)-1-ethoxy-3-ethylhex-1-ene
CID 134906000
(E)-6-ethoxy-2-methyl-3-propan-2-ylhex-5-en-3-ol
CID 11790228
(2R,3S)-2-ethyl-3-methyl-2,3-dihydrofuran
CID 11137146
4-Ethyl-4-methoxy-5-methylhex-1-ene
CID 23385014
4-Methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene
CID 23385034
4-Methoxy-5-methyl-4-propan-2-ylhex-1-ene
CID 23385035

Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)-3H-furan?
The IUPAC name of 2,2-di(propan-2-yl)-3H-furan (CID 45091822) is 2,2-di(propan-2-yl)-3H-furan.
What is the SMILES notation for 2,2-di(propan-2-yl)-3H-furan?
The canonical SMILES for 2,2-di(propan-2-yl)-3H-furan is CC(C)C1(C(C)C)CC=CO1.
What is the InChIKey of 2,2-di(propan-2-yl)-3H-furan?
The InChIKey is BQHFWWLPCNZCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)10(9(3)4)6-5-7-11-10/h5,7-9H,6H2,1-4H3.
What are the key properties of 2,2-di(propan-2-yl)-3H-furan?
2,2-di(propan-2-yl)-3H-furan has a molecular weight of 154.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)-3H-furan is sourced from PubChem (CID 45091822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).