3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan

C9H16O2 — CID 155649507

IUPAC3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
SMILESCC(C)C12COCC1COC2
InChIInChI=1S/C9H16O2/c1-7(2)9-5-10-3-8(9)4-11-6-9/h7-8H,3-6H2,1-2H3
InChIKeyLDXLBSKQBHZSBR-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.31
Rot. Bonds1

About 3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan

3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan (PubChem CID 155649507) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan.

Molecular Properties

Compound Name3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
PubChem CID155649507
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
SMILESCC(C)C12COCC1COC2
InChIInChI=1S/C9H16O2/c1-7(2)9-5-10-3-8(9)4-11-6-9/h7-8H,3-6H2,1-2H3
InChIKeyLDXLBSKQBHZSBR-UHFFFAOYSA-N
XLogP1.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21022524
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(1S,5R)-3-oxabicyclo[3.1.0]hexane-1-carbaldehyde
CID 129497690
4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine
CID 66263782
6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine
CID 170792756
4,4-dimethyloxolan-3-amine;hydrochloride
CID 67002020
3-methyl-3-(oxetan-3-yl)dioxetane
CID 175456347
2,6-dichloro-9-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-propan-2-ylpurin-8-one
CID 176593793
N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine
CID 121207427
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
(1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane
CID 171796329
5,5-dihydroxy-3a-methyl-3,4,6,6a-tetrahydro-1H-thieno[3,4-c]furan
CID 164918725

Frequently Asked Questions

What is the IUPAC name of 3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
The IUPAC name of 3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan (CID 155649507) is 3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan.
What is the SMILES notation for 3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
The canonical SMILES for 3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan is CC(C)C12COCC1COC2.
What is the InChIKey of 3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
The InChIKey is LDXLBSKQBHZSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)9-5-10-3-8(9)4-11-6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan has a molecular weight of 156.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan is sourced from PubChem (CID 155649507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).