8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid

C18H26O2 — CID 139585985

IUPAC8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid
SMILESC/C=C\c1cc(C)ccc1CCCCCCCC(=O)O
InChIInChI=1S/C18H26O2/c1-3-9-17-14-15(2)12-13-16(17)10-7-5-4-6-8-11-18(19)20/h3,9,12-14H,4-8,10-11H2,1-2H3,(H,19,20)/b9-3-
InChIKeyKOYAYWARYIFYSV-OQFOIZHKSA-N
MW274.40 g/mol
LogP5.00
Rot. Bonds9

About 8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid

8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid (PubChem CID 139585985) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid.

Molecular Properties

Compound Name8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid
PubChem CID139585985
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid
SMILESC/C=C\c1cc(C)ccc1CCCCCCCC(=O)O
InChIInChI=1S/C18H26O2/c1-3-9-17-14-15(2)12-13-16(17)10-7-5-4-6-8-11-18(19)20/h3,9,12-14H,4-8,10-11H2,1-2H3,(H,19,20)/b9-3-
InChIKeyKOYAYWARYIFYSV-OQFOIZHKSA-N
XLogP5.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid?
The IUPAC name of 8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid (CID 139585985) is 8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid.
What is the SMILES notation for 8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid?
The canonical SMILES for 8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid is C/C=C\c1cc(C)ccc1CCCCCCCC(=O)O.
What is the InChIKey of 8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid?
The InChIKey is KOYAYWARYIFYSV-OQFOIZHKSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-9-17-14-15(2)12-13-16(17)10-7-5-4-6-8-11-18(19)20/h3,9,12-14H,4-8,10-11H2,1-2H3,(H,19,20)/b9-3-.
What are the key properties of 8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid?
8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid has a molecular weight of 274.40 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]octanoic acid is sourced from PubChem (CID 139585985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).