5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran

C11H17ClO — CID 166654809

IUPAC5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran
SMILESC/C(Cl)=C\C1=C(C(C)C)OCCC1
InChIInChI=1S/C11H17ClO/c1-8(2)11-10(7-9(3)12)5-4-6-13-11/h7-8H,4-6H2,1-3H3/b9-7+
InChIKeyLPBOWIUGKHGMKH-VQHVLOKHSA-N
MW200.71 g/mol
LogP3.85
Rot. Bonds2

About 5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran

5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran (PubChem CID 166654809) has the molecular formula C11H17ClO and a molecular weight of 200.71 g/mol. Its IUPAC name is 5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran
PubChem CID166654809
Molecular FormulaC11H17ClO
Molecular Weight200.71 g/mol
Exact Mass200.10
IUPAC Name5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran
SMILESC/C(Cl)=C\C1=C(C(C)C)OCCC1
InChIInChI=1S/C11H17ClO/c1-8(2)11-10(7-9(3)12)5-4-6-13-11/h7-8H,4-6H2,1-3H3/b9-7+
InChIKeyLPBOWIUGKHGMKH-VQHVLOKHSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran (CID 166654809) is 5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran is C/C(Cl)=C\C1=C(C(C)C)OCCC1.
What is the InChIKey of 5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran?
The InChIKey is LPBOWIUGKHGMKH-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H17ClO/c1-8(2)11-10(7-9(3)12)5-4-6-13-11/h7-8H,4-6H2,1-3H3/b9-7+.
What are the key properties of 5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran?
5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran has a molecular weight of 200.71 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 166654809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).