(2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan

C12H22O — CID 91980008

IUPAC(2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan
SMILESCCC[C@@]1(C(C)(C)C)C=C[C@@H](C)O1
InChIInChI=1S/C12H22O/c1-6-8-12(11(3,4)5)9-7-10(2)13-12/h7,9-10H,6,8H2,1-5H3/t10-,12+/m1/s1
InChIKeyBWJMAXUUBRFWGV-PWSUYJOCSA-N
MW182.31 g/mol
LogP3.55
Rot. Bonds2

About (2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan

(2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan (PubChem CID 91980008) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan.

Molecular Properties

Compound Name(2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan
PubChem CID91980008
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan
SMILESCCC[C@@]1(C(C)(C)C)C=C[C@@H](C)O1
InChIInChI=1S/C12H22O/c1-6-8-12(11(3,4)5)9-7-10(2)13-12/h7,9-10H,6,8H2,1-5H3/t10-,12+/m1/s1
InChIKeyBWJMAXUUBRFWGV-PWSUYJOCSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cassyrane
CID 11658397
2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740
6-Ethyl-2,10,10-trimethyl-1-oxaspiro[4.5]deca-3,6-diene
CID 22219099
Edulan I
CID 521066
Cassyrane, (2S,5S)-
CID 91980009
1-Oxaspiro(4.5)deca-3,6-diene, 2,6,10,10-tetramethyl-
CID 171338
(2S,8aR)-2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene
CID 6432427
2-Methyl-2-propyl-2,5-dihydrofuran
CID 12507025
Edulan II
CID 6432428
1,5,5-Trimethyl-9-oxa-bicyclo[4.3.0]non-2-ene
CID 20489866
1-Methoxy-6,6-dimethyl-cyclohex-2-ene
CID 558570
5-tert-butyl-5-methyl-2H-furan
CID 12507021

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan?
The IUPAC name of (2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan (CID 91980008) is (2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan.
What is the SMILES notation for (2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan?
The canonical SMILES for (2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan is CCC[C@@]1(C(C)(C)C)C=C[C@@H](C)O1.
What is the InChIKey of (2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan?
The InChIKey is BWJMAXUUBRFWGV-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H22O/c1-6-8-12(11(3,4)5)9-7-10(2)13-12/h7,9-10H,6,8H2,1-5H3/t10-,12+/m1/s1.
What are the key properties of (2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan?
(2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan has a molecular weight of 182.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-tert-butyl-2-methyl-5-propyl-2H-furan is sourced from PubChem (CID 91980008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).