(2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran

C15H28O — CID 10242751

IUPAC(2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran
SMILESCCCCCCC[C@@H]1C=C(C)[C@H](C(C)C)O1
InChIInChI=1S/C15H28O/c1-5-6-7-8-9-10-14-11-13(4)15(16-14)12(2)3/h11-12,14-15H,5-10H2,1-4H3/t14-,15+/m1/s1
InChIKeyWGVHBOZDFNQTEH-CABCVRRESA-N
MW224.39 g/mol
LogP4.72
Rot. Bonds7

About (2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran

(2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran (PubChem CID 10242751) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran.

Molecular Properties

Compound Name(2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran
PubChem CID10242751
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran
SMILESCCCCCCC[C@@H]1C=C(C)[C@H](C(C)C)O1
InChIInChI=1S/C15H28O/c1-5-6-7-8-9-10-14-11-13(4)15(16-14)12(2)3/h11-12,14-15H,5-10H2,1-4H3/t14-,15+/m1/s1
InChIKeyWGVHBOZDFNQTEH-CABCVRRESA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.72
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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Related Compounds

Rose oxide
CID 27866
2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
CID 92002
2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
CID 586292
Rose oxide, cis-(-)-
CID 1712087
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
Rose oxide, trans-(-)-
CID 7093102
Rose oxide, cis-(+)-
CID 6432154
2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740
2H-Pyran, 3,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990786
Bisabolene oxide
CID 56842615

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran?
The IUPAC name of (2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran (CID 10242751) is (2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran.
What is the SMILES notation for (2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran?
The canonical SMILES for (2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran is CCCCCCC[C@@H]1C=C(C)[C@H](C(C)C)O1.
What is the InChIKey of (2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran?
The InChIKey is WGVHBOZDFNQTEH-CABCVRRESA-N. The full InChI is InChI=1S/C15H28O/c1-5-6-7-8-9-10-14-11-13(4)15(16-14)12(2)3/h11-12,14-15H,5-10H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of (2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran?
(2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran has a molecular weight of 224.39 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-heptyl-3-methyl-2-propan-2-yl-2,5-dihydrofuran is sourced from PubChem (CID 10242751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).