3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran

C12H18O — CID 89247388

IUPAC3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
SMILESC/C=C\C1=C(/C=C/C)OCC(C)C1
InChIInChI=1S/C12H18O/c1-4-6-11-8-10(3)9-13-12(11)7-5-2/h4-7,10H,8-9H2,1-3H3/b6-4-,7-5+
InChIKeyBEPVTUSZVZDXME-XGXWUAJZSA-N
MW178.27 g/mol
LogP3.45
Rot. Bonds2

About 3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran

3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran (PubChem CID 89247388) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
PubChem CID89247388
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
SMILESC/C=C\C1=C(/C=C/C)OCC(C)C1
InChIInChI=1S/C12H18O/c1-4-6-11-8-10(3)9-13-12(11)7-5-2/h4-7,10H,8-9H2,1-3H3/b6-4-,7-5+
InChIKeyBEPVTUSZVZDXME-XGXWUAJZSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran (CID 89247388) is 3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran is C/C=C\C1=C(/C=C/C)OCC(C)C1.
What is the InChIKey of 3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran?
The InChIKey is BEPVTUSZVZDXME-XGXWUAJZSA-N. The full InChI is InChI=1S/C12H18O/c1-4-6-11-8-10(3)9-13-12(11)7-5-2/h4-7,10H,8-9H2,1-3H3/b6-4-,7-5+.
What are the key properties of 3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran?
3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran has a molecular weight of 178.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).