ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan

C14H20O — CID 144690001

IUPACethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan
SMILESCC.Cc1cccc2c1C1CCOC1C2
InChIInChI=1S/C12H14O.C2H6/c1-8-3-2-4-9-7-11-10(12(8)9)5-6-13-11;1-2/h2-4,10-11H,5-7H2,1H3;1-2H3
InChIKeyAGUBLLSWVFZZEX-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.45
Rot. Bonds

About ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan

ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan (PubChem CID 144690001) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan.

Molecular Properties

Compound Nameethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan
PubChem CID144690001
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Nameethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan
SMILESCC.Cc1cccc2c1C1CCOC1C2
InChIInChI=1S/C12H14O.C2H6/c1-8-3-2-4-9-7-11-10(12(8)9)5-6-13-11;1-2/h2-4,10-11H,5-7H2,1H3;1-2H3
InChIKeyAGUBLLSWVFZZEX-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 99642443
(3S,4S)-3-ethyl-5-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223105
N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 134208216
(2'aS,8'bR)-8'-methylspiro[1,3-dioxolane-2,3'-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalene]
CID 11390589
8-methoxy-2-methylbicyclo[4.2.0]octa-1,3,5-triene
CID 105429225
5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
CID 105428926
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 105453860
(2S)-2-(9-methyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)pyrrolidine
CID 175052060
8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol
CID 153397190
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 105469179
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 83829383

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan?
The IUPAC name of ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan (CID 144690001) is ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan.
What is the SMILES notation for ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan?
The canonical SMILES for ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan is CC.Cc1cccc2c1C1CCOC1C2.
What is the InChIKey of ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan?
The InChIKey is AGUBLLSWVFZZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C2H6/c1-8-3-2-4-9-7-11-10(12(8)9)5-6-13-11;1-2/h2-4,10-11H,5-7H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan?
ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan has a molecular weight of 204.31 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan is sourced from PubChem (CID 144690001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).