6-butyl-4-methyl-3,6-dihydro-2H-pyran

C10H18O — CID 12503534

IUPAC6-butyl-4-methyl-3,6-dihydro-2H-pyran
SMILESCCCCC1C=C(C)CCO1
InChIInChI=1S/C10H18O/c1-3-4-5-10-8-9(2)6-7-11-10/h8,10H,3-7H2,1-2H3
InChIKeyQSUZPTWHJQTIHC-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds3

About 6-butyl-4-methyl-3,6-dihydro-2H-pyran

6-butyl-4-methyl-3,6-dihydro-2H-pyran (PubChem CID 12503534) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 6-butyl-4-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-butyl-4-methyl-3,6-dihydro-2H-pyran
PubChem CID12503534
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name6-butyl-4-methyl-3,6-dihydro-2H-pyran
SMILESCCCCC1C=C(C)CCO1
InChIInChI=1S/C10H18O/c1-3-4-5-10-8-9(2)6-7-11-10/h8,10H,3-7H2,1-2H3
InChIKeyQSUZPTWHJQTIHC-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
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

Rose oxide
CID 27866
(+-)-Nerol oxide
CID 61275
Rose oxide, cis-(-)-
CID 1712087
Rose oxide, cis-(+)-
CID 6432154
Rose oxide, trans-(-)-
CID 7093102
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
2,4,5,7a-Tetrahydro-3,6-dimethylbenzofuran
CID 21606187
2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
2H-Pyran, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
CID 91909
Rose oxide, trans-(+)-
CID 1712086
(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 23425614
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-butyl-4-methyl-3,6-dihydro-2H-pyran (CID 12503534) is 6-butyl-4-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-butyl-4-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-butyl-4-methyl-3,6-dihydro-2H-pyran is CCCCC1C=C(C)CCO1.
What is the InChIKey of 6-butyl-4-methyl-3,6-dihydro-2H-pyran?
The InChIKey is QSUZPTWHJQTIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-5-10-8-9(2)6-7-11-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 6-butyl-4-methyl-3,6-dihydro-2H-pyran?
6-butyl-4-methyl-3,6-dihydro-2H-pyran has a molecular weight of 154.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 12503534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).