6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran

C14H22O2 — CID 10537016

IUPAC6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran
SMILESC=CCOC1(C2=CCCCO2)CCCCC1
InChIInChI=1S/C14H22O2/c1-2-11-16-14(9-5-3-6-10-14)13-8-4-7-12-15-13/h2,8H,1,3-7,9-12H2
InChIKeyPEFTWZGGWMDMMG-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.59
Rot. Bonds4

About 6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran

6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran (PubChem CID 10537016) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran
PubChem CID10537016
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran
SMILESC=CCOC1(C2=CCCCO2)CCCCC1
InChIInChI=1S/C14H22O2/c1-2-11-16-14(9-5-3-6-10-14)13-8-4-7-12-15-13/h2,8H,1,3-7,9-12H2
InChIKeyPEFTWZGGWMDMMG-UHFFFAOYSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran (CID 10537016) is 6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran is C=CCOC1(C2=CCCCO2)CCCCC1.
What is the InChIKey of 6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran?
The InChIKey is PEFTWZGGWMDMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-11-16-14(9-5-3-6-10-14)13-8-4-7-12-15-13/h2,8H,1,3-7,9-12H2.
What are the key properties of 6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran?
6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran has a molecular weight of 222.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-prop-2-enoxycyclohexyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 10537016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).