4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid

C15H24O4 — CID 25014973

IUPAC4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid
SMILESC/C(=C\CC[C@H](C)C(=O)O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H24O4/c1-10(4-3-5-11(2)14(16)17)12-6-8-13(9-7-12)15(18)19/h4,11-13H,3,5-9H2,1-2H3,(H,16,17)(H,18,19)/b10-4+/t11-,12?,13?/m0/s1
InChIKeyLTNNRLSIPOPBOC-AIPMOWSPSA-N
MW268.35 g/mol
LogP3.32
Rot. Bonds6

About 4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid

4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 25014973) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid
PubChem CID25014973
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid
SMILESC/C(=C\CC[C@H](C)C(=O)O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H24O4/c1-10(4-3-5-11(2)14(16)17)12-6-8-13(9-7-12)15(18)19/h4,11-13H,3,5-9H2,1-2H3,(H,16,17)(H,18,19)/b10-4+/t11-,12?,13?/m0/s1
InChIKeyLTNNRLSIPOPBOC-AIPMOWSPSA-N
XLogP3.32
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
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-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid (CID 25014973) is 4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid is C/C(=C\CC[C@H](C)C(=O)O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is LTNNRLSIPOPBOC-AIPMOWSPSA-N. The full InChI is InChI=1S/C15H24O4/c1-10(4-3-5-11(2)14(16)17)12-6-8-13(9-7-12)15(18)19/h4,11-13H,3,5-9H2,1-2H3,(H,16,17)(H,18,19)/b10-4+/t11-,12?,13?/m0/s1.
What are the key properties of 4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid?
4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 268.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E,6S)-6-carboxyhept-2-en-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 25014973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).