(1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid

C20H30O2 — CID 162972726

IUPAC(1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid
SMILESCC1=C/C/C=C(\C)CC/C=C(/C(=O)O)CC[C@H](C(C)C)\C=C\1
InChIInChI=1S/C20H30O2/c1-15(2)18-12-11-17(4)8-5-7-16(3)9-6-10-19(14-13-18)20(21)22/h7-8,10-12,15,18H,5-6,9,13-14H2,1-4H3,(H,21,22)/b12-11+,16-7+,17-8-,19-10+/t18-/m1/s1
InChIKeyURNIZNROVUIVOM-ZWLODVMESA-N
MW302.46 g/mol
LogP5.68
Rot. Bonds2

About (1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid

(1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid (PubChem CID 162972726) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid.

Molecular Properties

Compound Name(1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid
PubChem CID162972726
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid
SMILESCC1=C/C/C=C(\C)CC/C=C(/C(=O)O)CC[C@H](C(C)C)\C=C\1
InChIInChI=1S/C20H30O2/c1-15(2)18-12-11-17(4)8-5-7-16(3)9-6-10-19(14-13-18)20(21)22/h7-8,10-12,15,18H,5-6,9,13-14H2,1-4H3,(H,21,22)/b12-11+,16-7+,17-8-,19-10+/t18-/m1/s1
InChIKeyURNIZNROVUIVOM-ZWLODVMESA-N
XLogP5.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid?
The IUPAC name of (1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid (CID 162972726) is (1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid.
What is the SMILES notation for (1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid?
The canonical SMILES for (1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid is CC1=C/C/C=C(\C)CC/C=C(/C(=O)O)CC[C@H](C(C)C)\C=C\1.
What is the InChIKey of (1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid?
The InChIKey is URNIZNROVUIVOM-ZWLODVMESA-N. The full InChI is InChI=1S/C20H30O2/c1-15(2)18-12-11-17(4)8-5-7-16(3)9-6-10-19(14-13-18)20(21)22/h7-8,10-12,15,18H,5-6,9,13-14H2,1-4H3,(H,21,22)/b12-11+,16-7+,17-8-,19-10+/t18-/m1/s1.
What are the key properties of (1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid?
(1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid has a molecular weight of 302.46 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5E,8Z,10E,12R)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,8,10-tetraene-1-carboxylic acid is sourced from PubChem (CID 162972726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).