4-(furan-2-yl)hepta-1,6-dien-4-ol

C11H14O2 — CID 11206108

IUPAC4-(furan-2-yl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)c1ccco1
InChIInChI=1S/C11H14O2/c1-3-7-11(12,8-4-2)10-6-5-9-13-10/h3-6,9,12H,1-2,7-8H2
InChIKeyOYTNUPDNFKZGGB-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.62
Rot. Bonds5

About 4-(furan-2-yl)hepta-1,6-dien-4-ol

4-(furan-2-yl)hepta-1,6-dien-4-ol (PubChem CID 11206108) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(furan-2-yl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-(furan-2-yl)hepta-1,6-dien-4-ol
PubChem CID11206108
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-(furan-2-yl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)c1ccco1
InChIInChI=1S/C11H14O2/c1-3-7-11(12,8-4-2)10-6-5-9-13-10/h3-6,9,12H,1-2,7-8H2
InChIKeyOYTNUPDNFKZGGB-UHFFFAOYSA-N
XLogP2.62
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
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 4-(furan-2-yl)hepta-1,6-dien-4-ol?
The IUPAC name of 4-(furan-2-yl)hepta-1,6-dien-4-ol (CID 11206108) is 4-(furan-2-yl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-(furan-2-yl)hepta-1,6-dien-4-ol?
The canonical SMILES for 4-(furan-2-yl)hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)c1ccco1.
What is the InChIKey of 4-(furan-2-yl)hepta-1,6-dien-4-ol?
The InChIKey is OYTNUPDNFKZGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-7-11(12,8-4-2)10-6-5-9-13-10/h3-6,9,12H,1-2,7-8H2.
What are the key properties of 4-(furan-2-yl)hepta-1,6-dien-4-ol?
4-(furan-2-yl)hepta-1,6-dien-4-ol has a molecular weight of 178.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 11206108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).