(2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran

C13H22O2 — CID 162419517

IUPAC(2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran
SMILESCCCCC/C=C\[C@H]1CC=CC(OC)O1
InChIInChI=1S/C13H22O2/c1-3-4-5-6-7-9-12-10-8-11-13(14-2)15-12/h7-9,11-13H,3-6,10H2,1-2H3/b9-7-/t12-,13?/m0/s1
InChIKeyQEQXWCIBVNWUKP-LYXCLADJSA-N
MW210.32 g/mol
LogP3.44
Rot. Bonds6

About (2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran

(2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran (PubChem CID 162419517) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran
PubChem CID162419517
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran
SMILESCCCCC/C=C\[C@H]1CC=CC(OC)O1
InChIInChI=1S/C13H22O2/c1-3-4-5-6-7-9-12-10-8-11-13(14-2)15-12/h7-9,11-13H,3-6,10H2,1-2H3/b9-7-/t12-,13?/m0/s1
InChIKeyQEQXWCIBVNWUKP-LYXCLADJSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-Hexenal diethyl acetal, (2E)-
CID 5365137
1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
1,1-Diethoxyhex-2-ene
CID 93366
1,1-Diethoxynona-2,6-diene
CID 105533
1,1-Diethoxy-2,6-nonadiene, (2Z,6Z)-
CID 20838796
2,6-Nonadienal diethyl acetal
CID 6437114
(E)-1,1-dimethoxynon-2-ene
CID 10921247
2-Octene, 1,1-diethoxy-
CID 108233
6-Methoxy-3,6-dihydro-2H-pyran
CID 557737
6-ethoxy-3,6-dihydro-2H-pyran
CID 359256
(2Z)-1-(1-Ethoxyethoxy)-2-hexene
CID 20841373
(E)-1,1-diethoxyoct-2-ene
CID 12533597

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran?
The IUPAC name of (2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran (CID 162419517) is (2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran is CCCCC/C=C\[C@H]1CC=CC(OC)O1.
What is the InChIKey of (2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran?
The InChIKey is QEQXWCIBVNWUKP-LYXCLADJSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-4-5-6-7-9-12-10-8-11-13(14-2)15-12/h7-9,11-13H,3-6,10H2,1-2H3/b9-7-/t12-,13?/m0/s1.
What are the key properties of (2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran?
(2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran has a molecular weight of 210.32 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-hept-1-enyl]-6-methoxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 162419517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).