5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

C12H22O — CID 146652691

IUPAC5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCC(C)C(C)C1CC2COCC2C1
InChIInChI=1S/C12H22O/c1-8(2)9(3)10-4-11-6-13-7-12(11)5-10/h8-12H,4-7H2,1-3H3
InChIKeyOJXNTJTYMNRIBT-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.95
Rot. Bonds2

About 5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (PubChem CID 146652691) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
PubChem CID146652691
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCC(C)C(C)C1CC2COCC2C1
InChIInChI=1S/C12H22O/c1-8(2)9(3)10-4-11-6-13-7-12(11)5-10/h8-12H,4-7H2,1-3H3
InChIKeyOJXNTJTYMNRIBT-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan with MolForge

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Related Compounds

5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 123136118
ethane;3-oxabicyclo[3.1.0]hexane
CID 177000090
3-(3-methylbutan-2-yl)oxolane
CID 123661278
3-[(2S)-3-methylbutan-2-yl]oxolane
CID 166765635
3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
CID 175612432
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
5-(1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-yl)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 143811684
(3aS,7aR)-5-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 167189775
(2R,3aR,6aS)-1,2-dimethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;ethane
CID 144826290
4-[(2S)-3-methylbutan-2-yl]piperidine
CID 126758303
3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine
CID 130436525
propan-2-yl N-methyl-N-(oxetan-3-yl)carbamate
CID 58468928

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The IUPAC name of 5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (CID 146652691) is 5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is CC(C)C(C)C1CC2COCC2C1.
What is the InChIKey of 5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The InChIKey is OJXNTJTYMNRIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(2)9(3)10-4-11-6-13-7-12(11)5-10/h8-12H,4-7H2,1-3H3.
What are the key properties of 5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan has a molecular weight of 182.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 146652691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).