6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol

C12H18O — CID 130413034

IUPAC6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol
SMILESC/C=C/C1=CC(CC)CC(O)C=C1
InChIInChI=1S/C12H18O/c1-3-5-11-6-7-12(13)9-10(4-2)8-11/h3,5-8,10,12-13H,4,9H2,1-2H3/b5-3+
InChIKeyDRFWDOAREFSLMG-HWKANZROSA-N
MW178.27 g/mol
LogP2.84
Rot. Bonds2

About 6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol

6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol (PubChem CID 130413034) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol.

Molecular Properties

Compound Name6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol
PubChem CID130413034
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol
SMILESC/C=C/C1=CC(CC)CC(O)C=C1
InChIInChI=1S/C12H18O/c1-3-5-11-6-7-12(13)9-10(4-2)8-11/h3,5-8,10,12-13H,4,9H2,1-2H3/b5-3+
InChIKeyDRFWDOAREFSLMG-HWKANZROSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol?
The IUPAC name of 6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol (CID 130413034) is 6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol.
What is the SMILES notation for 6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol?
The canonical SMILES for 6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol is C/C=C/C1=CC(CC)CC(O)C=C1.
What is the InChIKey of 6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol?
The InChIKey is DRFWDOAREFSLMG-HWKANZROSA-N. The full InChI is InChI=1S/C12H18O/c1-3-5-11-6-7-12(13)9-10(4-2)8-11/h3,5-8,10,12-13H,4,9H2,1-2H3/b5-3+.
What are the key properties of 6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol?
6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol has a molecular weight of 178.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol is sourced from PubChem (CID 130413034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).