6-(3-methylbutyl)-3,4-dihydro-2H-pyran

C10H18O — CID 135084299

IUPAC6-(3-methylbutyl)-3,4-dihydro-2H-pyran
SMILESCC(C)CCC1=CCCCO1
InChIInChI=1S/C10H18O/c1-9(2)6-7-10-5-3-4-8-11-10/h5,9H,3-4,6-8H2,1-2H3
InChIKeyVDOVWCNOKRXSII-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.12
Rot. Bonds3

About 6-(3-methylbutyl)-3,4-dihydro-2H-pyran

6-(3-methylbutyl)-3,4-dihydro-2H-pyran (PubChem CID 135084299) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 6-(3-methylbutyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(3-methylbutyl)-3,4-dihydro-2H-pyran
PubChem CID135084299
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name6-(3-methylbutyl)-3,4-dihydro-2H-pyran
SMILESCC(C)CCC1=CCCCO1
InChIInChI=1S/C10H18O/c1-9(2)6-7-10-5-3-4-8-11-10/h5,9H,3-4,6-8H2,1-2H3
InChIKeyVDOVWCNOKRXSII-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(3-methylbutyl)-3,4-dihydro-2H-pyran (CID 135084299) is 6-(3-methylbutyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(3-methylbutyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(3-methylbutyl)-3,4-dihydro-2H-pyran is CC(C)CCC1=CCCCO1.
What is the InChIKey of 6-(3-methylbutyl)-3,4-dihydro-2H-pyran?
The InChIKey is VDOVWCNOKRXSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)6-7-10-5-3-4-8-11-10/h5,9H,3-4,6-8H2,1-2H3.
What are the key properties of 6-(3-methylbutyl)-3,4-dihydro-2H-pyran?
6-(3-methylbutyl)-3,4-dihydro-2H-pyran has a molecular weight of 154.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 135084299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).