(2R)-5,5-dimethyl-2-octyl-2H-furan

C14H26O — CID 44542983

IUPAC(2R)-5,5-dimethyl-2-octyl-2H-furan
SMILESCCCCCCCC[C@@H]1C=CC(C)(C)O1
InChIInChI=1S/C14H26O/c1-4-5-6-7-8-9-10-13-11-12-14(2,3)15-13/h11-13H,4-10H2,1-3H3/t13-/m1/s1
InChIKeyUMSNMPDKZRGGQG-CYBMUJFWSA-N
MW210.36 g/mol
LogP4.47
Rot. Bonds7

About (2R)-5,5-dimethyl-2-octyl-2H-furan

(2R)-5,5-dimethyl-2-octyl-2H-furan (PubChem CID 44542983) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (2R)-5,5-dimethyl-2-octyl-2H-furan.

Molecular Properties

Compound Name(2R)-5,5-dimethyl-2-octyl-2H-furan
PubChem CID44542983
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(2R)-5,5-dimethyl-2-octyl-2H-furan
SMILESCCCCCCCC[C@@H]1C=CC(C)(C)O1
InChIInChI=1S/C14H26O/c1-4-5-6-7-8-9-10-13-11-12-14(2,3)15-13/h11-13H,4-10H2,1-3H3/t13-/m1/s1
InChIKeyUMSNMPDKZRGGQG-CYBMUJFWSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-5,5-dimethyl-2-octyl-2H-furan?
The IUPAC name of (2R)-5,5-dimethyl-2-octyl-2H-furan (CID 44542983) is (2R)-5,5-dimethyl-2-octyl-2H-furan.
What is the SMILES notation for (2R)-5,5-dimethyl-2-octyl-2H-furan?
The canonical SMILES for (2R)-5,5-dimethyl-2-octyl-2H-furan is CCCCCCCC[C@@H]1C=CC(C)(C)O1.
What is the InChIKey of (2R)-5,5-dimethyl-2-octyl-2H-furan?
The InChIKey is UMSNMPDKZRGGQG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26O/c1-4-5-6-7-8-9-10-13-11-12-14(2,3)15-13/h11-13H,4-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-5,5-dimethyl-2-octyl-2H-furan?
(2R)-5,5-dimethyl-2-octyl-2H-furan has a molecular weight of 210.36 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,5-dimethyl-2-octyl-2H-furan is sourced from PubChem (CID 44542983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).