(2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran

C15H23BrO2 — CID 89084971

IUPAC(2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CC[C@@H]1C=C[C@H](OC)[C@@H](CCCC(=C)CBr)O1
InChIInChI=1S/C15H23BrO2/c1-4-6-13-9-10-14(17-3)15(18-13)8-5-7-12(2)11-16/h4,9-10,13-15H,1-2,5-8,11H2,3H3/t13-,14+,15-/m1/s1
InChIKeyWBCSNKUONQHSRF-QLFBSQMISA-N
MW315.25 g/mol
LogP4.02
Rot. Bonds8

About (2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran

(2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran (PubChem CID 89084971) has the molecular formula C15H23BrO2 and a molecular weight of 315.25 g/mol. Its IUPAC name is (2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran
PubChem CID89084971
Molecular FormulaC15H23BrO2
Molecular Weight315.25 g/mol
Exact Mass314.09
IUPAC Name(2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CC[C@@H]1C=C[C@H](OC)[C@@H](CCCC(=C)CBr)O1
InChIInChI=1S/C15H23BrO2/c1-4-6-13-9-10-14(17-3)15(18-13)8-5-7-12(2)11-16/h4,9-10,13-15H,1-2,5-8,11H2,3H3/t13-,14+,15-/m1/s1
InChIKeyWBCSNKUONQHSRF-QLFBSQMISA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran (CID 89084971) is (2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran is C=CC[C@@H]1C=C[C@H](OC)[C@@H](CCCC(=C)CBr)O1.
What is the InChIKey of (2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The InChIKey is WBCSNKUONQHSRF-QLFBSQMISA-N. The full InChI is InChI=1S/C15H23BrO2/c1-4-6-13-9-10-14(17-3)15(18-13)8-5-7-12(2)11-16/h4,9-10,13-15H,1-2,5-8,11H2,3H3/t13-,14+,15-/m1/s1.
What are the key properties of (2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran?
(2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran has a molecular weight of 315.25 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-2-[4-(bromomethyl)pent-4-enyl]-3-methoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 89084971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).