ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan

C12H18O — CID 143900403

IUPACethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan
SMILESCC.CC1=CC=CCC2=C1OCC2
InChIInChI=1S/C10H12O.C2H6/c1-8-4-2-3-5-9-6-7-11-10(8)9;1-2/h2-4H,5-7H2,1H3;1-2H3
InChIKeyDWENBFPCBKRMGM-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.59
Rot. Bonds

About ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan

ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan (PubChem CID 143900403) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan.

Molecular Properties

Compound Nameethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan
PubChem CID143900403
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Nameethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan
SMILESCC.CC1=CC=CCC2=C1OCC2
InChIInChI=1S/C10H12O.C2H6/c1-8-4-2-3-5-9-6-7-11-10(8)9;1-2/h2-4H,5-7H2,1H3;1-2H3
InChIKeyDWENBFPCBKRMGM-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3-trimethylcyclohepta-1,3,5-triene
CID 12518377
2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene
CID 121009040
(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene
CID 169152065
(NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 172985783
ethane;1-methylcyclohexa-1,3-diene
CID 91025584
hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
cobalt;1-methylcyclopenta-1,3-diene
CID 161089151
4,7-dimethyl-2,3,5,6-tetrahydro-1-benzofuran;ethane
CID 144506345
5-methyl-9H-benzo[7]annulene
CID 123648201
magnesium;hydride;bis(1-methylcyclopenta-1,3-diene)
CID 173083947

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan?
The IUPAC name of ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan (CID 143900403) is ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan.
What is the SMILES notation for ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan?
The canonical SMILES for ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan is CC.CC1=CC=CCC2=C1OCC2.
What is the InChIKey of ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan?
The InChIKey is DWENBFPCBKRMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C2H6/c1-8-4-2-3-5-9-6-7-11-10(8)9;1-2/h2-4H,5-7H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan?
ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan has a molecular weight of 178.27 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan is sourced from PubChem (CID 143900403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).