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

C15H28O2 — CID 20758292

IUPAC3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCCCCCCCC1COC2C(C)COC12
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-13-11-17-14-12(2)10-16-15(13)14/h12-15H,3-11H2,1-2H3
InChIKeyHVPZBMQUGRZXKN-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.79
Rot. Bonds7

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

3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 20758292) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID20758292
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCCCCCCCC1COC2C(C)COC12
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-13-11-17-14-12(2)10-16-15(13)14/h12-15H,3-11H2,1-2H3
InChIKeyHVPZBMQUGRZXKN-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Launch Full Analysis

Related Compounds

2-Methyl-5-[(5-methyloxolan-2-yl)-(oxolan-2-yl)methyl]oxolane
CID 135085110
(3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 138719581
(3R,3aR,6aS)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 167164409
(3S,3aR,6aS)-3-ethyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 167164410
(3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 169322476
(3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 169322488
(3S,3aS,6R,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 169322490
(3S,3aR,6R,6aS)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 169322491
(3R,3aR,6R,6aS)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 169322495
(3R,3aR,6S,6aS)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 169322496
(3S,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 169322500
(3R,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 169322504

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of 3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 20758292) is 3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for 3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for 3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CCCCCCCCC1COC2C(C)COC12.
What is the InChIKey of 3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is HVPZBMQUGRZXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-13-11-17-14-12(2)10-16-15(13)14/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 240.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 20758292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).