(2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran

C12H20O — CID 135056531

IUPAC(2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran
SMILESC=C(CCCCC)[C@@H]1OC=C[C@H]1C
InChIInChI=1S/C12H20O/c1-4-5-6-7-10(2)12-11(3)8-9-13-12/h8-9,11-12H,2,4-7H2,1,3H3/t11-,12+/m1/s1
InChIKeyWHZKQWXPPAFWQK-NEPJUHHUSA-N
MW180.29 g/mol
LogP3.67
Rot. Bonds5

About (2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran

(2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran (PubChem CID 135056531) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran.

Molecular Properties

Compound Name(2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran
PubChem CID135056531
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran
SMILESC=C(CCCCC)[C@@H]1OC=C[C@H]1C
InChIInChI=1S/C12H20O/c1-4-5-6-7-10(2)12-11(3)8-9-13-12/h8-9,11-12H,2,4-7H2,1,3H3/t11-,12+/m1/s1
InChIKeyWHZKQWXPPAFWQK-NEPJUHHUSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.67
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,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran?
The IUPAC name of (2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran (CID 135056531) is (2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran.
What is the SMILES notation for (2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran?
The canonical SMILES for (2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran is C=C(CCCCC)[C@@H]1OC=C[C@H]1C.
What is the InChIKey of (2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran?
The InChIKey is WHZKQWXPPAFWQK-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H20O/c1-4-5-6-7-10(2)12-11(3)8-9-13-12/h8-9,11-12H,2,4-7H2,1,3H3/t11-,12+/m1/s1.
What are the key properties of (2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran?
(2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran has a molecular weight of 180.29 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran is sourced from PubChem (CID 135056531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).