acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C9H14O2 — CID 168912947

IUPACacetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC#C.CC1COC2CCOC12
InChIInChI=1S/C7H12O2.C2H2/c1-5-4-9-6-2-3-8-7(5)6;1-2/h5-7H,2-4H2,1H3;1-2H
InChIKeyRXRIQSUDIXHBPJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.06
Rot. Bonds

About acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 168912947) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Nameacetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID168912947
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameacetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC#C.CC1COC2CCOC12
InChIInChI=1S/C7H12O2.C2H2/c1-5-4-9-6-2-3-8-7(5)6;1-2/h5-7H,2-4H2,1H3;1-2H
InChIKeyRXRIQSUDIXHBPJ-UHFFFAOYSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118370032
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 15934530
(3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 89160443
(3aR,6S,6aS)-6-bromo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58101934
(3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 167164363
(3aR,6aR)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]-2-methylpropan-1-ol;2-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol
CID 157399692
3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 22082039
(3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 168912924
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59997534
(1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol
CID 156874453
(6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 163594028
(3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane
CID 161227566

Frequently Asked Questions

What is the IUPAC name of acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 168912947) is acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C#C.CC1COC2CCOC12.
What is the InChIKey of acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is RXRIQSUDIXHBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C2H2/c1-5-4-9-6-2-3-8-7(5)6;1-2/h5-7H,2-4H2,1H3;1-2H.
What are the key properties of acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 154.21 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 168912947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).