4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran

C12H22O — CID 69342031

IUPAC4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran
SMILESCCCCCC1CC(C)=C(C)CO1
InChIInChI=1S/C12H22O/c1-4-5-6-7-12-8-10(2)11(3)9-13-12/h12H,4-9H2,1-3H3
InChIKeyXNNDQQUGAXLVCU-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds4

About 4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran

4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran (PubChem CID 69342031) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran
PubChem CID69342031
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran
SMILESCCCCCC1CC(C)=C(C)CO1
InChIInChI=1S/C12H22O/c1-4-5-6-7-12-8-10(2)11(3)9-13-12/h12H,4-9H2,1-3H3
InChIKeyXNNDQQUGAXLVCU-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol
CID 151919481
(2R)-2-pentyloxirane
CID 11147691
2-tetratetracontyloxirane
CID 102093754
2-tetradecyloxirane
CID 23741
(2R)-2-octadecyloxirane
CID 98043533
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran
CID 152532677
5-methylidene-2-pentyloxane
CID 118489514
4-dodecyloxetan-2-one
CID 90110174

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran?
The IUPAC name of 4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran (CID 69342031) is 4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran is CCCCCC1CC(C)=C(C)CO1.
What is the InChIKey of 4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran?
The InChIKey is XNNDQQUGAXLVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-5-6-7-12-8-10(2)11(3)9-13-12/h12H,4-9H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran?
4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran has a molecular weight of 182.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 69342031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).