3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone

C15H20O2 — CID 101274653

IUPAC3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone
SMILESC=C(C)[C@@H]1CC=C(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C15H20O2/c1-11(2)12-6-8-13(9-7-12)15(16)14-5-3-4-10-17-14/h5,8,12H,1,3-4,6-7,9-10H2,2H3/t12-/m1/s1
InChIKeyVPORVEXEXUKPSL-GFCCVEGCSA-N
MW232.32 g/mol
LogP3.55
Rot. Bonds3

About 3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone

3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone (PubChem CID 101274653) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone
PubChem CID101274653
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone
SMILESC=C(C)[C@@H]1CC=C(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C15H20O2/c1-11(2)12-6-8-13(9-7-12)15(16)14-5-3-4-10-17-14/h5,8,12H,1,3-4,6-7,9-10H2,2H3/t12-/m1/s1
InChIKeyVPORVEXEXUKPSL-GFCCVEGCSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone with MolForge

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Related Compounds

Primin
CID 84800
2-Methoxy-6-undecyl-1,4-benzoquinone
CID 44559530
2-Methoxy-6-pentadecylcyclohexa-2,5-diene-1,4-dione
CID 71345494
2-Methoxy-6-tridecyl-1,4-benzoquinone
CID 10087379
2-[(Z)-dodec-5-enyl]-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 118736753
2,5-Cyclohexadiene-1,4-dione, 2-heptyl-6-methoxy-
CID 183882
2-Methoxy-6-nonadecylcyclohexa-2,5-diene-1,4-dione
CID 21592368
6-Dodecyl-2-methoxy-1,4-benzoquinone
CID 193384
2-Decyl-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 10084963
Delta8-THCQ
CID 11370880
2-(10-Cyclohexyldecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 71583323
5-Heptyl-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183878

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone (CID 101274653) is 3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone is C=C(C)[C@@H]1CC=C(C(=O)C2=CCCCO2)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone?
The InChIKey is VPORVEXEXUKPSL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(2)12-6-8-13(9-7-12)15(16)14-5-3-4-10-17-14/h5,8,12H,1,3-4,6-7,9-10H2,2H3/t12-/m1/s1.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone?
3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone has a molecular weight of 232.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanone is sourced from PubChem (CID 101274653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).