5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol

C10H12O — CID 86137621

IUPAC5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol
SMILESCC(C)=C1C=CC=C(O)C=C1
InChIInChI=1S/C10H12O/c1-8(2)9-4-3-5-10(11)7-6-9/h3-7,11H,1-2H3
InChIKeyGPXPIKZRHSCNAU-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.89
Rot. Bonds

About 5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol

5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol (PubChem CID 86137621) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol
PubChem CID86137621
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol
SMILESCC(C)=C1C=CC=C(O)C=C1
InChIInChI=1S/C10H12O/c1-8(2)9-4-3-5-10(11)7-6-9/h3-7,11H,1-2H3
InChIKeyGPXPIKZRHSCNAU-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol (CID 86137621) is 5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol is CC(C)=C1C=CC=C(O)C=C1.
What is the InChIKey of 5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol?
The InChIKey is GPXPIKZRHSCNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-8(2)9-4-3-5-10(11)7-6-9/h3-7,11H,1-2H3.
What are the key properties of 5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol?
5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol has a molecular weight of 148.20 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylidenecyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 86137621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).