7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol

C22H36O2 — CID 57202369

IUPAC7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol
SMILESCCCCCCC=CC1=C(CC=C=CCCC(O)O)[C@@H](CC)CC1
InChIInChI=1S/C22H36O2/c1-3-5-6-7-8-11-14-20-18-17-19(4-2)21(20)15-12-9-10-13-16-22(23)24/h10-12,14,19,22-24H,3-8,13,15-18H2,1-2H3/t9?,19-/m0/s1
InChIKeyDOUKAEFGDZEPHP-YOKAEFACSA-N
MW332.53 g/mol
LogP5.82
Rot. Bonds12

About 7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol

7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol (PubChem CID 57202369) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is 7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol.

Molecular Properties

Compound Name7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol
PubChem CID57202369
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol
SMILESCCCCCCC=CC1=C(CC=C=CCCC(O)O)[C@@H](CC)CC1
InChIInChI=1S/C22H36O2/c1-3-5-6-7-8-11-14-20-18-17-19(4-2)21(20)15-12-9-10-13-16-22(23)24/h10-12,14,19,22-24H,3-8,13,15-18H2,1-2H3/t9?,19-/m0/s1
InChIKeyDOUKAEFGDZEPHP-YOKAEFACSA-N
XLogP5.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol?
The IUPAC name of 7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol (CID 57202369) is 7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol.
What is the SMILES notation for 7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol?
The canonical SMILES for 7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol is CCCCCCC=CC1=C(CC=C=CCCC(O)O)[C@@H](CC)CC1.
What is the InChIKey of 7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol?
The InChIKey is DOUKAEFGDZEPHP-YOKAEFACSA-N. The full InChI is InChI=1S/C22H36O2/c1-3-5-6-7-8-11-14-20-18-17-19(4-2)21(20)15-12-9-10-13-16-22(23)24/h10-12,14,19,22-24H,3-8,13,15-18H2,1-2H3/t9?,19-/m0/s1.
What are the key properties of 7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol?
7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol has a molecular weight of 332.53 g/mol, XLogP of 5.82, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5S)-5-ethyl-2-oct-1-enylcyclopenten-1-yl]hepta-4,5-diene-1,1-diol is sourced from PubChem (CID 57202369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).