3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran

C9H14O — CID 134931803

IUPAC3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1=CC(C)COC1
InChIInChI=1S/C9H14O/c1-3-4-9-5-8(2)6-10-7-9/h3,5,8H,1,4,6-7H2,2H3
InChIKeyMOWHEXAREFWXKZ-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds2

About 3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran

3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran (PubChem CID 134931803) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
PubChem CID134931803
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1=CC(C)COC1
InChIInChI=1S/C9H14O/c1-3-4-9-5-8(2)6-10-7-9/h3,5,8H,1,4,6-7H2,2H3
InChIKeyMOWHEXAREFWXKZ-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(+-)-Nerol oxide
CID 61275
3-Hexene, 1-((2-methyl-2-propen-1-yl)oxy)-, (3Z)-
CID 59870763
2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
3,6-Dihydro-4-methyl-2H-pyran
CID 85360
(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
CID 11062576
2H-Pyran, 5,6-dihydro-4,5-dimethyl-2-(2-methyl-1-propen-1-yl)-
CID 103463
2,6-Octadiene, 3,7-dimethyl-1-(2-propenyloxy)-
CID 5362835
4,6-Dimethyl-3,6-dihydro-2H-pyran
CID 12338288
2-Ethyl-4-methyl-3,6-dihydropyran
CID 12347116
2,4,6-Trimethyl-5,6-dihydropyran
CID 12381647
2-Pentene, 1-ethoxy-4-methyl-, (Z)-
CID 5365079
6H-Pyrane, 2,3-dihydro-2,4-dimethyl
CID 524214

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The IUPAC name of 3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran (CID 134931803) is 3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran is C=CCC1=CC(C)COC1.
What is the InChIKey of 3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The InChIKey is MOWHEXAREFWXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-4-9-5-8(2)6-10-7-9/h3,5,8H,1,4,6-7H2,2H3.
What are the key properties of 3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran has a molecular weight of 138.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134931803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).