6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran

C11H18O — CID 20732850

IUPAC6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran
SMILESC=CC(C1=CCCCO1)C(C)C
InChIInChI=1S/C11H18O/c1-4-10(9(2)3)11-7-5-6-8-12-11/h4,7,9-10H,1,5-6,8H2,2-3H3
InChIKeyWCINOHOOBGFBML-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.14
Rot. Bonds3

About 6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran

6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran (PubChem CID 20732850) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran
PubChem CID20732850
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran
SMILESC=CC(C1=CCCCO1)C(C)C
InChIInChI=1S/C11H18O/c1-4-10(9(2)3)11-7-5-6-8-12-11/h4,7,9-10H,1,5-6,8H2,2-3H3
InChIKeyWCINOHOOBGFBML-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.14
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

1-Butoxycyclohexa-1,4-diene
CID 11147826
2-Ethyl-5-methyl-5,6-dihydro-(4h)-pyran
CID 91167446
Furan, 2,3-dihydro-5-(2-methylpropyl)-
CID 521760
4-Methyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyran
CID 21789782
6-isobutyl-3,4-dihydro-2H-pyran
CID 9989345
(Z)-4-methoxy-2,6-dimethylhept-3-ene
CID 10464560
5-(1-Ethoxyethenyl)-6-methylidenecyclohexa-1,3-diene
CID 86227164
2-Methyl-4-allyl-4,5-dihydrofuran
CID 129808864
4-Methyl-2-(2-methylpropyl)-4h-pyran
CID 129831003
(5E)-5-ethoxydeca-1,5,9-triene
CID 135043142
(5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene
CID 135043198
6-(3-methylbutyl)-3,4-dihydro-2H-pyran
CID 135084299

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran (CID 20732850) is 6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran is C=CC(C1=CCCCO1)C(C)C.
What is the InChIKey of 6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran?
The InChIKey is WCINOHOOBGFBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-10(9(2)3)11-7-5-6-8-12-11/h4,7,9-10H,1,5-6,8H2,2-3H3.
What are the key properties of 6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran?
6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran has a molecular weight of 166.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpent-1-en-3-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 20732850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).